SCHEMBL20390889

SCHEMBL20390889

Cc1ccc(-c2nc(NC(=O)C(C)N)cs2)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 9/20 0.43
▸ BIRC2 Q13490 3/20 0.43
▸ CDK5 Q00535 4/20 0.39
▸ CDK5R1 Q15078 4/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ATAD2 Q6PL18 1/20 0.38
▸ GPR142 Q7Z601 1/20 0.37
▸ TRPA1 O75762 1/20 0.37

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
SCHEMBL12681451 1.00 XIAP (0.43) XIAPBIRC2CDK5CDK5R1CCNA2
SCHEMBL12681463 0.92 XIAP (0.39) XIAPBIRC2CDK5CDK5R1CCNA2
SCHEMBL12681482 0.89 CDK5 (0.40) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12681422 0.88 AAK1 (0.47) —
SCHEMBL20390891 0.88 AAK1 (0.47) —
SCHEMBL12681423 0.87 HDAC2 (0.39) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12681406 0.87 SCN9A (0.39) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12680085 0.87 XIAP (0.41) XIAPBIRC2CDK5CDK5R1CCNA2
SCHEMBL12681408 0.85 GPR142 (0.37) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL13907113 0.85 XIAP (0.40) XIAPBIRC2CDK5CDK5R1CCNA2

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-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 — — EP disclosed
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