SCHEMBL27906089

SCHEMBL27906089

CC(=O)Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LIPE Q05469 12/20 0.49
KMT2A Q03164 1/20 0.49
BCHE P06276 1/20 0.48
RAB9A P51151 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL217941 0.86 TSHR (0.50) LMNATSHRSMN1; SMN2LIPEKMT2A
SCHEMBL9862017 0.84 LMNA (0.51) LMNATSHRSMN1; SMN2LIPEKMT2A
SCHEMBL10435427 0.83 RAB9A (0.50) LMNATSHRSMN1; SMN2LIPEKMT2A
SCHEMBL6634752 0.83 KMT2A (0.57) LMNALIPEKMT2ABCHERAB9A
SCHEMBL31387018 0.79 KMT2A (0.47) LMNATSHRSMN1; SMN2LIPEKMT2A
SCHEMBL28028552 0.78 L3MBTL1 (0.50) LMNASMN1; SMN2LIPEKMT2ARAB9A
SCHEMBL27653581 0.78 LMNA (0.56) LMNASMN1; SMN2LIPEKMT2ARAB9A
SCHEMBL27902251 0.77 LMNA (0.46) LMNATSHRSMN1; SMN2LIPEKMT2A
SCHEMBL17440372 0.77 TSHR (0.60) LMNATSHRSMN1; SMN2LIPEKMT2A
SCHEMBL27911352 0.77 LMNA (0.42) LMNALIPEKMT2ARAB9AHPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218523-B Pyridine derivate PIM kinase inhibitor and preparation method thereof and the application in pharmacy 上海吉铠医药科技有限公司 2019-08-23 CN disclosed
CN-105254624-B Isothizole derivatives PIM kinase inhibitor and preparation method thereof and the application in pharmacy 上海吉铠医药科技有限公司 2019-08-09 CN disclosed
CN-105130959-B Pyrimidine derivatives PIM kinase inhibitors and preparation method thereof and the application in pharmacy 上海吉铠医药科技有限公司 2018-08-03 CN disclosed
CN-105254624-A Isothiazole derivative PIM kinase inhibitor and preparation method thereof, and application of inhibitor in pharmacy SHANGHAI JIKAI MEDICAL TECHNOLOGY CO LTD 2016-01-20 CN disclosed
CN-105218523-A Pyridine derivate PIM kinase inhibitor and preparation method thereof and the application in pharmacy SHANGHAI JIKAI PHARMACEUTICAL TECHNOLOGY CO LTD 2016-01-06 CN disclosed
CN-105130959-A PIM (provims integration of maloney) kinase inhibitor adopting pyrimidine derivative structure, preparation method of PIM kinase inhibitor and application of PIM kinase inhibitor to pharmacy SHANGHAI JIKAI MEDICAL TECHNOLOGY CO LTD 2015-12-09 CN disclosed
CN-104837831-A Novel pyridine derivatives HOFFMANN LA ROCHE 2015-08-12 CN disclosed
CN-104744403-A Iminothiadiazine Dioxide Compounds As Bace Inhibitors, Compositions, And Their Use MERCK SHARP & DOHME 2015-07-01 CN disclosed
CN-103608332-A Pyridine-2-amides useful as CB2 agonists HOFFMANN LA ROCHE 2014-02-26 CN disclosed
CN-102892758-A Pyridine and pyrazine derivatives for the treatment of CF NOVARTIS AG 2013-01-23 CN disclosed