SCHEMBL8329431

SCHEMBL8329431

Clc1ccc(-c2ncc3c(n2)-c2cncnc2CC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.44
CDK2 P24941 5/20 0.44
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH4 Q9H3N8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
IGF1R P08069 2/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8327052 0.87 CDK2 (0.35) CCNA2CDK2CYP1A2CYP2C9CYP2C19
SCHEMBL8328773 0.83 HRH4 (0.39) CCNA2CDK2CYP1A2CYP2C9CYP2C19
SCHEMBL8327878 0.82 CCNA2 (0.34) CCNA2CDK2CYP1A2CYP2C19KDM4E
SCHEMBL8330251 0.82 DUSP10 (0.45) CCNA2CDK2CYP1A2CYP2C9CYP2C19
SCHEMBL8329211 0.81 KDM4E (0.43) CCNA2CDK2CYP1A2CYP2C9CYP2C19
SCHEMBL8326151 0.81 CYP1A2 (0.41) CCNA2CDK2CYP1A2CYP2C19KDM4E
SCHEMBL8325184 0.81 CCNA2 (0.62) CCNA2CDK2CYP1A2CYP2C9CYP2C19
SCHEMBL8329082 0.81 CCNA2 (0.48) CCNA2CDK2CYP1A2CYP2C9CYP2C19
SCHEMBL8326389 0.79 CCNT1 (0.39) CDK2KDM4ECYP19A1
SCHEMBL8326631 0.78 KDM4E (0.43) CCNA2CDK2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915879-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-05-19 EP claimed
WO-1998001449-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-01-15 WO claimed
EP-0915879-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-05-19 EP disclosed
WO-1998001449-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-01-15 WO disclosed