SCHEMBL14732099

SCHEMBL14732099

CC(C)NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(F)c4)n3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.52
▸ PDE4D Q08499 2/20 0.42
▸ STAT3 P40763 1/20 0.41
▸ TTK P33981 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ FLT3 P36888 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
SCHEMBL13062593 1.00 TYK2 (0.52) TYK2PDE4DSTAT3TTKCCNE1
SCHEMBL13745103 0.91 TYK2 (0.63) TYK2PDE4DSTAT3TTK
SCHEMBL3775460 0.90 TYK2 (0.49) TYK2PDE4DTTK
SCHEMBL3775463 0.90 TYK2 (0.49) TYK2PDE4DTTK
SCHEMBL3773609 0.90 TYK2 (0.49) TYK2PDE4DSTAT3TTK
SCHEMBL3773610 0.90 TYK2 (0.49) TYK2PDE4DSTAT3TTK
SCHEMBL3772384 0.90 TYK2 (0.52) TYK2PDE4DSTAT3TTKCCNE1
SCHEMBL3772377 0.90 TYK2 (0.52) TYK2PDE4DSTAT3TTKCCNE1
SCHEMBL3731587 0.90 TYK2 (0.53) TYK2PDE4DSTAT3
SCHEMBL3731596 0.90 TYK2 (0.53) TYK2PDE4DSTAT3

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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