SCHEMBL29902873

SCHEMBL29902873

CNC(=O)Cc1ccc2nc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.56
▸ CCNE1 P24864 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CDK5 Q00535 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.49
▸ P2RY14 Q15391 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ QPCT Q16769 4/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ WNT3A P56704 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL29902860 1.00 NAMPT (0.56) NAMPTCCNE1CDK2CDK5HDAC6
SCHEMBL5151137 0.81 NAMPT (0.55) NAMPTCCNE1CDK2CDK5HDAC6
SCHEMBL23675135 0.80 NAMPT (0.50) NAMPTCCNE1CDK2CDK5HDAC6
SCHEMBL14365718 0.80 QPCT (0.63) POLBQPCTL3MBTL1HTTABL1
SCHEMBL20385992 0.77 QPCT (0.59) HDAC6POLBQPCTL3MBTL1HTT
SCHEMBL15558786 0.75 CTNNB1 (0.68) NAMPTCCNE1CDK2CDK5HDAC6
SCHEMBL30265139 0.75 L3MBTL1 (0.65) HDAC6POLBL3MBTL1HTTKMT2A
SCHEMBL26686922 0.74 PRKCI (0.53) NAMPTHDAC6P2RY14POLBQPCT
SCHEMBL7901545 0.74 PRKCI (0.53) NAMPTHDAC6POLBQPCTKDM4E
SCHEMBL3154557 0.74 P2RY14 (0.53) NAMPTHDAC6P2RY14POLBQPCT

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
EP-4077316-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2022-10-26 — — EP disclosed
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