SCHEMBL8329082

SCHEMBL8329082

Cc1ncc2c(n1)CCc1cnc(-c3ccc(Cl)cc3)nc1-2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.48
CDK2 P24941 8/20 0.48
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
IGF1R P08069 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL8325184 0.85 CCNA2 (0.62) CCNA2CDK2MEN1KMT2AKDM4E
SCHEMBL8326420 0.84 CCNA2 (0.67) CCNA2CDK2
SCHEMBL8327901 0.84 CCNA2 (0.46) CCNA2CDK2MEN1KMT2AKDM4E
SCHEMBL8580105 0.82 CCNA2 (0.44) CCNA2CDK2KDM4ECYP1A2CYP3A4
SCHEMBL8329431 0.81 CCNA2 (0.44) CCNA2CDK2KDM4ECYP1A2CYP3A4
SCHEMBL8330251 0.78 DUSP10 (0.45) CCNA2CDK2MEN1KMT2AKDM4E
SCHEMBL8327091 0.77 CCNA2 (0.51) CCNA2CDK2MEN1KMT2AKDM4E
SCHEMBL8329211 0.75 KDM4E (0.43) CCNA2CDK2MEN1KMT2AKDM4E
SCHEMBL8326631 0.75 KDM4E (0.43) CCNA2CDK2MEN1KMT2AKDM4E
SCHEMBL8328773 0.71 HRH4 (0.39) CCNA2CDK2MEN1KMT2AKDM4E

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