SCHEMBL9965751

SCHEMBL9965751

CNc1nc(C)c(C)s1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10669262 0.79 KMT2A (0.56)
Hydrochloric Acid SCHEMBL10668153 0.77 KMT2A (0.54)
SCHEMBL18469874 0.77
SCHEMBL15899107 0.77
SCHEMBL14489682 0.75
Hydrochloric Acid SCHEMBL4380035 0.75 ALDH1A1 (0.47)
SCHEMBL18774053 0.75
SCHEMBL9962639 0.73 ALDH1A1 (0.46)
SCHEMBL6410862 0.72 ALDH1A1 (0.44)
SCHEMBL10812910 0.72 RAB9A (0.68)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969930-A Thiazole ring-containing pyrazole carboxamide derivative and preparation method and application thereof 安徽农业大学 2023-10-31 CN disclosed
WO-2023020209-A1 UREA COMPOUND CONTAINING 2-HETEROAROMATIC RING SUBSTITUTION, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-02-23 WO disclosed
EP-3756464-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-12-30 EP disclosed
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 EP disclosed
EP-3159342-B1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/PI3K INHIBITOR CISEN PHARMACEUTICAL CO LTD (CN) 2020-08-05 EP disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 US disclosed
EP-3159341-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS PI3K INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2017-04-26 EP disclosed
US-9273031-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2016-03-01 US disclosed
US-7674788-B2 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-09 US disclosed
US-7652047-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2010-01-26 US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
US-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-12-11 US disclosed
US-7442554-B2 Compositions and methods involving glucocorticoid receptor site II BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-28 US disclosed
US-7429667-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-09-30 US disclosed
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 US disclosed
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 US disclosed
EP-0282309-A2 Azole-aminomethylene bisphosphonic acid derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP disclosed
US-4242495-A COATINGS, MOLDINGS, FOAMS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-12-30 US disclosed