SCHEMBL14732070

SCHEMBL14732070

NCCCNc1cc(NC2CCC(N)CC2)nn2c(C(=O)Nc3ccncc3)cnc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.47
▸ PDE4D Q08499 1/20 0.41
▸ TTK P33981 3/20 0.41
▸ CCNE1 P24864 8/20 0.41
▸ CDK2 P24941 8/20 0.41
▸ FLT3 P36888 8/20 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
SCHEMBL13014639 1.00 TYK2 (0.47) TYK2PDE4DTTKCCNE1CDK2
SCHEMBL3768952 0.95 TYK2 (0.48) TYK2PDE4DTTKCCNE1CDK2
SCHEMBL3768946 0.95 TYK2 (0.48) TYK2PDE4DTTKCCNE1CDK2
SCHEMBL3776549 0.93 TYK2 (0.47) TYK2PDE4DTTKCCNE1CDK2
SCHEMBL3784741 0.92 TYK2 (0.48) TYK2PDE4DTTKCCNE1CDK2
SCHEMBL3784736 0.92 TYK2 (0.48) TYK2PDE4DTTKCCNE1CDK2
SCHEMBL3774299 0.91 TYK2 (0.45) TYK2PDE4DTTKCCNE1CDK2
SCHEMBL3782120 0.89 TYK2 (0.46) TYK2PDE4DTTKCCNE1CDK2
SCHEMBL3782125 0.89 TYK2 (0.46) TYK2PDE4DTTKCCNE1CDK2
SCHEMBL3780058 0.89 TYK2 (0.48) TYK2PDE4DTTKCCNE1CDK2

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 3 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
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US claimed
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP disclosed
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