SCHEMBL13748634

SCHEMBL13748634

CNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2C2CCN(C(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 9/20 0.46
▸ GIPR P48546 5/20 0.46
▸ SCD O00767 1/20 0.45
▸ SCD5 Q86SK9 1/20 0.45
▸ BRD4 O60885 1/20 0.43
▸ CYP2C9 P11712 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41
▸ PRCP P42785 1/20 0.41
▸ CYP2C8 P10632 1/20 0.40

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
SCHEMBL2667903 0.88 GCGR (0.61) GCGRGIPRCYP2C9CYP3A4CYP2C8
SCHEMBL13748622 0.87 GCGR (0.47) GCGRGIPRCYP2C9CYP3A4CYP2C8
SCHEMBL13749330 0.85 GCGR (0.44) GCGRGIPRCYP2C9MEN1KMT2A
SCHEMBL12360391 0.85 GCGR (0.59) GCGRGIPR
SCHEMBL2667349 0.83 GCGR (0.59) GCGRGIPRCYP2C9CYP3A4CYP2C8
SCHEMBL2667299 0.78 GCGR (0.61) GCGRGIPR
SCHEMBL2251290 0.78 GCGR (0.45) GCGRGIPRCYP2C9MEN1KMT2A
SCHEMBL2667895 0.78 GCGR (0.75) GCGRGIPRCYP2C9CYP3A4CYP2C8
SCHEMBL2667902 0.78 GCGR (0.63) GCGRGIPRCYP2C9CYP3A4CYP2C8
SCHEMBL2253028 0.77 GCGR (0.62) GCGRGIPRCYP2C9CYP3A4CYP2C8

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-7572922-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-08-11 — — US disclosed
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