SCHEMBL6081641

SCHEMBL6081641

CN1C(=O)c2c(n3ccnc3c3[nH]c4ncccc4c23)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
AURKA O14965 1/20 0.40
PARP1 P09874 1/20 0.40
PDE2A O00408 1/20 0.39
PDE6D O43924 1/20 0.39
PDE8A O60658 1/20 0.39
PDE5A O76074 1/20 0.39
PDE9A O76083 1/20 0.39
PDE8B O95263 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE4A P27815 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL6081576 0.81 CDK4 (0.41) CDK4CCND1AURKAPARP1MAPT
SCHEMBL6081831 0.71 DDB1 (0.35) POLBFEN1GABRG2GABRB3GABRA5
SCHEMBL22566992 0.66 CDK4 (0.83) CDK4CCND1AURKAPARP1MAPT
SCHEMBL6080838 0.66 ROCK2 (0.48) CDK4CCND1PARP1MAPT
SCHEMBL6080498 0.66 CDK4 (0.56) CDK4CCND1AURKAPARP1MAPT
SCHEMBL16504230 0.64 CDK4 (0.60) CDK4CCND1PARP1GABRA1GABRG2
SCHEMBL10809784 0.64 FEN1 (0.54) AURKAPARP1PDE2APDE6DPDE8A
SCHEMBL12396544 0.62 AURKA (0.65) AURKAPARP1MAPTKDM4EHTT
SCHEMBL30322758 0.62 AURKA (0.65) AURKAPARP1MAPTKDM4EHTT
SCHEMBL5879136 0.62 AURKA (0.49) CDK4CCND1AURKAPARP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004428-A1 Pyrrolo (3,4-c) carbazole and pyrido (2,3-b) pyrrolo (3,4-e) indole derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-01-05 US disclosed