SCHEMBL13994108

SCHEMBL13994108

CNC(=O)c1cccc(Nc2ncnc3[nH]c(C4=CCN(C(=O)OC(C)(C)C)CC4)cc23)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.51
▸ CDK9 P50750 7/20 0.51
▸ MKNK1 Q9BUB5 4/20 0.46
▸ SCN9A Q15858 3/20 0.45
▸ KIT P10721 2/20 0.44
▸ TBK1 Q9UHD2 1/20 0.43
▸ BTK Q06187 3/20 0.42

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
SCHEMBL13994074 0.92 CCNT1 (0.51) CCNT1CDK9MKNK1KITTBK1
SCHEMBL13994128 0.92 CCNT1 (0.51) CCNT1CDK9MKNK1KITTBK1
SCHEMBL13994061 0.89 CCNT1 (0.55) CCNT1CDK9MKNK1KITTBK1
SCHEMBL5008291 0.88 CCNT1 (0.51) CCNT1CDK9MKNK1KITTBK1
SCHEMBL14500309 0.88 CCNT1 (0.59) CCNT1CDK9TBK1
SCHEMBL5010250 0.88 KIT (0.53) CCNT1CDK9MKNK1KITTBK1
SCHEMBL13994066 0.86 CCNT1 (0.49) CCNT1CDK9MKNK1KITTBK1
SCHEMBL13994075 0.86 CCNT1 (0.49) CCNT1CDK9MKNK1KITTBK1
SCHEMBL5008380 0.85 CCNT1 (0.53) CCNT1CDK9MKNK1KITTBK1
SCHEMBL5010305 0.85 CCNT1 (0.48) CCNT1CDK9MKNK1KITTBK1

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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