SCHEMBL13994075

SCHEMBL13994075

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4cccc(-c5ccccn5)c4)ncnc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.49
▸ CDK9 P50750 7/20 0.49
▸ KIT P10721 2/20 0.48
▸ GRM5 P41594 3/20 0.45
▸ GRM1 Q13255 2/20 0.45
▸ TBK1 Q9UHD2 1/20 0.44
▸ MKNK1 Q9BUB5 4/20 0.44
▸ NAMPT P43490 1/20 0.41
▸ PDE10A Q9Y233 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
SCHEMBL5010250 0.92 KIT (0.53) CCNT1CDK9KITGRM5GRM1
SCHEMBL5002057 0.89 CCNT1 (0.49) CCNT1CDK9KITTBK1MKNK1
SCHEMBL13994069 0.89 CCNT1 (0.47) CCNT1CDK9KITGRM5GRM1
SCHEMBL5008373 0.89 CCNT1 (0.48) CCNT1CDK9KITTBK1MKNK1
SCHEMBL14500271 0.89 CCNT1 (0.55) CCNT1CDK9KITGRM5GRM1
SCHEMBL5005828 0.88 CCNT1 (0.47) CCNT1CDK9KITGRM5GRM1
SCHEMBL13994093 0.88 CCNT1 (0.47) CCNT1CDK9KITGRM5GRM1
SCHEMBL13994061 0.88 CCNT1 (0.55) CCNT1CDK9KITGRM5GRM1
SCHEMBL13994080 0.88 CCNT1 (0.49) CCNT1CDK9KITTBK1MKNK1
SCHEMBL13994081 0.88 KIT (0.56) CCNT1CDK9KITGRM5GRM1

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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