SCHEMBL14747511

SCHEMBL14747511

CCNc1cc(N[C@H]2CC[C@H](N)CC2)nn2c(C(=O)Nc3ccncc3)cnc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.48
▸ CCNE1 P24864 9/20 0.43
▸ CDK2 P24941 9/20 0.43
▸ FLT3 P36888 9/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ TTK P33981 1/20 0.42
▸ KIT P10721 1/20 0.40

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
SCHEMBL3780058 1.00 TYK2 (0.48) TYK2CCNE1CDK2FLT3PDE4D
SCHEMBL3777642 0.91 TYK2 (0.58) TYK2CCNE1CDK2FLT3PDE4D
SCHEMBL3776473 0.91 TYK2 (0.58) TYK2CCNE1CDK2FLT3PDE4D
SCHEMBL3777630 0.91 TYK2 (0.58) TYK2CCNE1CDK2FLT3PDE4D
SCHEMBL3776469 0.91 TYK2 (0.58) TYK2CCNE1CDK2FLT3PDE4D
SCHEMBL3786994 0.91 TYK2 (0.48) TYK2CCNE1CDK2FLT3PDE4D
SCHEMBL3768946 0.91 TYK2 (0.48) TYK2CCNE1CDK2FLT3PDE4D
SCHEMBL3784741 0.91 TYK2 (0.48) TYK2CCNE1CDK2FLT3PDE4D
SCHEMBL3768952 0.91 TYK2 (0.48) TYK2CCNE1CDK2FLT3PDE4D
SCHEMBL3786989 0.91 TYK2 (0.48) TYK2CCNE1CDK2FLT3PDE4D

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
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
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