SCHEMBL13994070

SCHEMBL13994070

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5ncccc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.51
▸ CDK9 P50750 7/20 0.51
▸ PDE10A Q9Y233 1/20 0.45
▸ KIT P10721 2/20 0.45
▸ TBK1 Q9UHD2 1/20 0.44
▸ GRM5 P41594 4/20 0.43
▸ GRM1 Q13255 4/20 0.43
▸ EGFR P00533 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL14500249 0.89 CCNT1 (0.57) CCNT1CDK9PDE10ATBK1GRM5
SCHEMBL5001496 0.89 CCNT1 (0.45) CCNT1CDK9EGFR
SCHEMBL13994061 0.86 CCNT1 (0.55) CCNT1CDK9KITTBK1GRM5
SCHEMBL13994132 0.86 CCNT1 (0.49) CCNT1CDK9PDE10AKITTBK1
SCHEMBL5008254 0.86 CCNT1 (0.48) CCNT1CDK9PDE10AKITTBK1
SCHEMBL5001675 0.85 CCNT1 (0.49) CCNT1CDK9KITTBK1EGFR
SCHEMBL13994103 0.85 CCNT1 (0.49) CCNT1CDK9KITTBK1MKNK1
SCHEMBL5005662 0.85 CCNT1 (0.49) CCNT1CDK9PDE10AKITTBK1
SCHEMBL5005640 0.85 CCNT1 (0.49) CCNT1CDK9PDE10AKITTBK1
SCHEMBL5005532 0.85 CCNT1 (0.49) CCNT1CDK9KITTBK1MKNK1

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