SCHEMBL18192980

SCHEMBL18192980

COc1ccc(N(C(=O)O)[C@H]2CC[C@H](Nc3cc(NC4CC4)c4ncc(C(=O)Nc5ccncc5F)n4n3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.42
▸ STAT3 P40763 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ GPR6 P46095 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL18192977 0.92 TYK2 (0.45) TYK2STAT3CCNE1CDK2FLT3
SCHEMBL18192966 0.91 TYK2 (0.47) TYK2STAT3CDK2PDE4D
SCHEMBL18193007 0.91 TYK2 (0.44) TYK2STAT3PDE4D
SCHEMBL18192950 0.86 TYK2 (0.48) TYK2STAT3PDE4D
SCHEMBL18192981 0.86 TYK2 (0.41) TYK2STAT3PDE4D
SCHEMBL13062313 0.85 TYK2 (0.45) TYK2CCNE1CDK2FLT3PDE4D
SCHEMBL3781609 0.85 TYK2 (0.50) TYK2STAT3PDE4D
SCHEMBL18192992 0.84 TYK2 (0.45) TYK2STAT3PDE4D
SCHEMBL18192999 0.84 TYK2 (0.44) TYK2STAT3PDE4D
SCHEMBL18193006 0.84 TYK2 (0.46) TYK2STAT3CCNE1CDK2FLT3

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
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP claimed
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