SCHEMBL2436023

SCHEMBL2436023

c1ncc2cc(OCCCN3CCOCC3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
HTR2A P28223 1/20 0.54
SCN1A P35498 1/20 0.54
HTR2B P41595 1/20 0.54
KCNH2 Q12809 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
FGFR1 P11362 1/20 0.51
SRC P12931 1/20 0.51
MIF P14174 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HRH2 P25021 1/20 0.48

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
SCHEMBL3067381 0.90 HRH3 (0.54) HRH3ALDH1A1MAPK1SIGMAR1CYP1A2
SCHEMBL30979868 0.90 HRH3 (0.54) HRH3ALDH1A1MAPK1SIGMAR1CYP1A2
SCHEMBL28032396 0.86 HRH3 (0.62) HRH3ALDH1A1SIGMAR1USP2SRC
SCHEMBL30209182 0.85 HRH3 (0.49) HRH3HRH2HRH1EGFR
SCHEMBL6386440 0.84 KDM4E (0.55) ALDH1A1CYP1A2FGFR1SRCKDM4E
SCHEMBL28126949 0.82 LTA4H (0.53) HRH3KDM4EEGFR
SCHEMBL2502393 0.80 ALDH1A1 (0.54) HRH3ALDH1A1MAPK1SIGMAR1CYP1A2
SCHEMBL7837580 0.79 HRH3 (0.53) HRH3KCNH2EGFR
SCHEMBL18024049 0.78 MIF (0.56) HRH3ALDH1A1MAPK1SIGMAR1CYP1A2
SCHEMBL29427198 0.78 AURKA (0.56) HRH3KCNH2FGFR1SRCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923023-B The novel method of a kind of Gefitinib and derivative Microwave synthesize thereof FUJIAN MEDICAL UNIVERSITY (CN) 2016-03-30 CN claimed
CN-105153065-A Preparation method of 4-(3-chloro-4-fluorophenyl amido)-7-methoxy-6-(3-morpholine propoxy) quinazoline SHANGHAI TIANCI INTERNAT PHARMACEUTICAL CO LTD 2015-12-16 CN claimed
EP-1546119-A1 PROCESS FOR THE PREPARATION OF 4- (3'CHLORO-4'-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE AstraZeneca AB (SE) 2005-06-29 EP claimed
WO-2004024703-A1 PROCESS FOR THE PREPARATION OF 4- (3’-CHLORO-4’-FLUOROANILINO) -7-METHOXY-6- (3-MORPHOLINOPROPOXY) QUINAZOLINE ASTRAZENECA AB (SE) 2004-03-25 WO claimed
CN-103923023-B The novel method of a kind of Gefitinib and derivative Microwave synthesize thereof FUJIAN MEDICAL UNIVERSITY (CN) 2016-03-30 CN disclosed
CN-103923023-B The novel method of a kind of Gefitinib and derivative Microwave synthesize thereof FUJIAN MEDICAL UNIVERSITY (CN) 2016-03-30 CN disclosed
CN-105153065-A Preparation method of 4-(3-chloro-4-fluorophenyl amido)-7-methoxy-6-(3-morpholine propoxy) quinazoline SHANGHAI TIANCI INTERNAT PHARMACEUTICAL CO LTD 2015-12-16 CN disclosed
WO-2011112588-A2 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-09-15 WO disclosed
CN-101348471-A Process for the preparation of 4- (3'chloro-4'-fluoroanilino) -7-methoxy-6- (3-morpholinopropoxy) quinazoline ASTRAZENECA AB (SE) 2009-01-21 CN disclosed
CN-1652790-A Crystalline forms of the anti-cancer compound ZD1839 ASTRAZENECA AB (SE) 2005-08-10 CN disclosed
EP-1480650-A1 NOVEL CRYSTALLINE FORMS OF THE ANTI-CANCER COMPOUND ZD1839 AstraZeneca AB (SE) 2004-12-01 EP disclosed
WO-2003072108-A1 NOVEL CRYSTALLINE FORMS OF THE ANTI-CANCER COMPOUND ZD1839 ASTRAZENECA AB (SE) 2003-09-04 WO disclosed