SCHEMBL3726045

SCHEMBL3726045

NC1CCC(Nc2cc(Nc3ccn(CCO)n3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 12/20 0.42
▸ CCNE1 P24864 8/20 0.39
▸ CDK2 P24941 8/20 0.39
▸ FLT3 P36888 8/20 0.39

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
SCHEMBL3726038 1.00 TYK2 (0.42) TYK2CCNE1CDK2FLT3
SCHEMBL3719074 0.90 TYK2 (0.43) TYK2CCNE1CDK2FLT3
SCHEMBL3719063 0.90 TYK2 (0.43) TYK2CCNE1CDK2FLT3
SCHEMBL13013511 0.89 IRAK4 (0.35) TYK2CCNE1CDK2FLT3
SCHEMBL3722113 0.87 TYK2 (0.42) TYK2CCNE1CDK2FLT3
SCHEMBL3722105 0.87 TYK2 (0.42) TYK2CCNE1CDK2FLT3
SCHEMBL3775476 0.87 TYK2 (0.55) TYK2CCNE1CDK2FLT3
SCHEMBL3769496 0.87 TYK2 (0.55) TYK2CCNE1CDK2FLT3
SCHEMBL3769510 0.87 TYK2 (0.55) TYK2CCNE1CDK2FLT3
SCHEMBL3728768 0.86 TYK2 (0.45) TYK2CCNE1CDK2FLT3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP claimed
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US disclosed
EP-2240488-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-20 — — EP disclosed
WO-2009100375-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 — — WO disclosed
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