SCHEMBL3459961

SCHEMBL3459961

Cc1cc2nc(-c3[nH]nc4c3CCN(Cc3cccc(Cl)c3Cl)C4)[nH]c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AMY1A P0DUB6 2/20 0.38
PTPN11 Q06124 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CLPP Q16740 1/20 0.35
GUSB P08236 2/20 0.35
CYP2A13 Q16696 2/20 0.35
BRS3 P32247 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
OPRL1 P41146 2/20 0.33
METAP2 P50579 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
SCHEMBL3455866 0.85 DRD2 (0.44) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL3455104 0.85 MEN1 (0.47) MEN1KMT2AAMY1ACLPPGUSB
SCHEMBL3455882 0.84 DRD2 (0.47) AMY1AALDH1A1CLPPGUSBAURKA
SCHEMBL13070128 0.81 DRD2 (0.38) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL3455100 0.81 BRD4 (0.38) MEN1KMT2AAMY1AKDM4EALDH1A1
SCHEMBL3455305 0.80 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1GUSB
SCHEMBL3455636 0.80 ALDH1A1 (0.38) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL3455272 0.80 HTR6 (0.43) MEN1KMT2AAMY1APTPN11TRPV1
SCHEMBL3456801 0.79 KIT (0.41) CLPPGUSBDRD2
SCHEMBL3457104 0.79 P2RX7 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed