SCHEMBL13994301

SCHEMBL13994301

CC(C)(C)OC(=O)N1CC=C(c2cc3c([N+]45CCN(CC4)CC5)ncnc3[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 11/20 0.53
▸ CDK9 P50750 11/20 0.53
▸ KIT P10721 2/20 0.46
▸ TBK1 Q9UHD2 1/20 0.46
▸ JAK1 P23458 1/20 0.42
▸ BTK Q06187 5/20 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
Hydrochloric Acid SCHEMBL5001793 0.99 CCNT1 (0.55) CCNT1CDK9KITTBK1JAK1
SCHEMBL5005001 0.83 CCNT1 (0.58) CCNT1CDK9KITTBK1JAK1
SCHEMBL13994061 0.78 CCNT1 (0.55) CCNT1CDK9KITTBK1
SCHEMBL5665564 0.77 CDK9 (0.66) CCNT1CDK9TBK1
SCHEMBL16967833 0.77 CDK9 (0.66) CCNT1CDK9TBK1
SCHEMBL13994153 0.77 CCNT1 (0.51) CCNT1CDK9KITTBK1JAK1
SCHEMBL5010135 0.76 CCNT1 (0.53) CCNT1CDK9KITTBK1JAK1
SCHEMBL5008380 0.76 CCNT1 (0.53) CCNT1CDK9KITTBK1BTK
SCHEMBL5004983 0.76 CDK9 (0.51) CCNT1CDK9KITTBK1JAK1
SCHEMBL14646826 0.75 CCNT1 (0.62) CCNT1CDK9BTK

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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