SCHEMBL14732117

SCHEMBL14732117

NCCCC(=O)NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.49
▸ PDE4D Q08499 2/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ SMYD3 Q9H7B4 2/20 0.39
▸ TTK P33981 1/20 0.38

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
SCHEMBL13062611 1.00 TYK2 (0.49) TYK2PDE4DSTAT3SMYD3TTK
SCHEMBL3775735 0.95 TYK2 (0.50) TYK2PDE4DSMYD3
SCHEMBL3771473 0.93 TYK2 (0.51) TYK2PDE4DSTAT3TTK
SCHEMBL3771482 0.93 TYK2 (0.51) TYK2PDE4DSTAT3TTK
SCHEMBL3774260 0.90 TYK2 (0.49) TYK2PDE4DTTK
SCHEMBL3774257 0.90 TYK2 (0.49) TYK2PDE4DTTK
SCHEMBL3774951 0.89 TYK2 (0.47) TYK2PDE4DSTAT3TTK
SCHEMBL3775501 0.89 TYK2 (0.47) TYK2PDE4DSTAT3TTK
SCHEMBL3775505 0.89 TYK2 (0.47) TYK2PDE4DSTAT3TTK
SCHEMBL3774954 0.89 TYK2 (0.47) TYK2PDE4DSTAT3TTK

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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