SCHEMBL20663281

SCHEMBL20663281

Cc1cncc(CNI)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ CYP11B1 P15538 12/20 0.39
▸ CYP11B2 P19099 12/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ TKT P29401 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL16606310 0.83 CYP1A2 (0.43) CYP2C9NAMPTCYP11B1CYP11B2CYP3A4
SCHEMBL10061636 0.81 CYP11B1 (0.43) CYP2C9NAMPTCYP11B1CYP11B2CYP3A4
SCHEMBL23623785 0.79 CYP2C9 (0.39) CYP2C9NAMPTCYP11B1CYP11B2CYP3A4
SCHEMBL2260514 0.78 KDR (0.38) CYP2C9NAMPTCYP11B1CYP11B2CYP3A4
SCHEMBL20069151 0.76 KCNH2 (0.46) CYP2C9NAMPTCYP11B1CYP11B2CYP3A4
SCHEMBL17886903 0.76 CYP11B1 (0.40) CYP2C9NAMPTCYP11B1CYP11B2CYP3A4
SCHEMBL21767198 0.76 — —
SCHEMBL6981125 0.76 — —
SCHEMBL13188717 0.73 NAMPT (0.44) CYP2C9NAMPTCYP11B1CYP11B2
SCHEMBL13632447 0.73 CYP2C9 (0.50) CYP2C9NAMPTCYP11B2ATMHCAR2

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-2791137-B1 PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION PROCESS THEREFOR AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2019-01-23 — — EP disclosed
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