SCHEMBL13994533

SCHEMBL13994533

CC(C)(C)NC(=O)N1CC=C(c2cc3c(Nc4ccc5scnc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 16/20 0.42
▸ RIPK3 Q9Y572 3/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ CSNK1E P49674 1/20 0.41
▸ GAK O14976 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ CCNT1 O60563 3/20 0.40
▸ CDK9 P50750 3/20 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
SCHEMBL5008119 0.94 CCNT1 (0.40) CCNT1CDK9
SCHEMBL5010180 0.89 RIPK2 (0.45) RIPK2RIPK3
SCHEMBL5005677 0.89 RIPK2 (0.45) RIPK2RIPK3
SCHEMBL5008365 0.89 RIPK2 (0.53) RIPK2RIPK3GAKNOD2CCNT1
SCHEMBL25799937 0.85 RIPK2 (0.55) RIPK2
SCHEMBL13994164 0.84 CCNT1 (0.39) CCNT1CDK9
SCHEMBL13994197 0.84 CCNT1 (0.43) CCNT1CDK9
SCHEMBL13994106 0.84 CCNT1 (0.43) CCNT1CDK9
SCHEMBL5004683 0.83 CCNT1 (0.48) CCNT1CDK9
SCHEMBL5001496 0.83 CCNT1 (0.45) CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
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