SCHEMBL19442014

SCHEMBL19442014

Cn1cc(I)cc(Nc2ccc(N3CCNCC3)cn2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.48
▸ MAP4K1 Q92918 5/20 0.47
▸ CDK4 P11802 12/20 0.46
▸ CCND1 P24385 12/20 0.46
▸ CCND2 P30279 7/20 0.46
▸ CCND3 P30281 7/20 0.46
▸ CDK2 P24941 4/20 0.46
▸ CCNA2 P20248 3/20 0.46
▸ CCNA1 P78396 2/20 0.46
▸ FGFR1 P11362 3/20 0.45
▸ FGFR2 P21802 3/20 0.45
▸ FGFR4 P22455 3/20 0.45
▸ FGFR3 P22607 3/20 0.45
▸ CCNE1 P24864 1/20 0.44

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
SCHEMBL1393033 0.87 CDK4 (0.48) BTKMAP4K1CDK4CCND1CCND2
SCHEMBL29742006 0.87 CDK4 (0.48) BTKMAP4K1CDK4CCND1CCND2
SCHEMBL10289462 0.83 CDK4 (0.48) MAP4K1CDK4CCND1CCND2CCND3
SCHEMBL10256584 0.78 CCND3 (0.48) MAP4K1CDK4CCND1CCND2CCND3
Hydrochloric Acid SCHEMBL1393269 0.77 CDK2 (0.47) MAP4K1CDK4CCND1CCND2CCND3
SCHEMBL708026 0.76 BTK (0.52) BTKMAP4K1CDK4CCND1CCND2
SCHEMBL14926244 0.76 BTK (0.44) BTKMAP4K1CDK4CCND1CCND2
SCHEMBL14915792 0.75 CDK4 (0.45) BTKMAP4K1CDK4CCND1CCND2
SCHEMBL14915902 0.75 CDK4 (0.45) BTKMAP4K1CDK4CCND1CCND2
SCHEMBL14915791 0.75 CDK4 (0.45) BTKMAP4K1CDK4CCND1CCND2

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-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 — — US disclosed
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