SCHEMBL3456801

SCHEMBL3456801

Cc1cc2nc(-c3[nH]nc4c3CCN(Cc3cccnc3)C4)[nH]c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.41
COMT P21964 1/20 0.40
GUSB P08236 1/20 0.40
CYP17A1 P05093 2/20 0.40
CYP3A4 P08684 2/20 0.40
GRM2 Q14416 1/20 0.39
CLPP Q16740 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.38
KCNH2 Q12809 1/20 0.38

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 0.90 DRD2 (0.44) CYP3A4CLPPDRD2
SCHEMBL3455104 0.85 MEN1 (0.47) GUSBCLPPDRD2
SCHEMBL3455882 0.85 DRD2 (0.47) KITGUSBCLPPDRD2KCNH2
SCHEMBL13070128 0.84 DRD2 (0.38) KITCYP3A4DRD2
SCHEMBL3457560 0.82 DRD2 (0.41) CYP3A4GRM2CLPPDRD2
SCHEMBL3455100 0.81 BRD4 (0.38)
SCHEMBL3456014 0.81 GRIN2B (0.41) GRM2DRD2
SCHEMBL3455636 0.81 ALDH1A1 (0.38) CLPPHSD17B10
SCHEMBL3455305 0.81 ALDH1A1 (0.44) KITGUSBHSD17B10
SCHEMBL3462996 0.80 ALDH1A1 (0.36)

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-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
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