SCHEMBL18192991

SCHEMBL18192991

O=C(O)CN[C@H]1CC[C@H](Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.49
▸ STAT3 P40763 1/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ TTK P33981 1/20 0.36

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
SCHEMBL13013306 0.91 TYK2 (0.47) TYK2STAT3PDE4DTTK
SCHEMBL3777282 0.91 TYK2 (0.47) TYK2STAT3PDE4DTTK
SCHEMBL3777288 0.91 TYK2 (0.47) TYK2STAT3PDE4DTTK
SCHEMBL18192961 0.91 TYK2 (0.44) TYK2PDE4D
SCHEMBL3780592 0.90 TYK2 (0.59) TYK2STAT3PDE4DTTK
SCHEMBL3774855 0.90 TYK2 (0.62) TYK2STAT3PDE4DTTK
SCHEMBL3807728 0.89 TYK2 (0.52) TYK2STAT3PDE4D
SCHEMBL3807724 0.89 TYK2 (0.52) TYK2STAT3PDE4D
SCHEMBL3726009 0.89 TYK2 (0.52) TYK2STAT3PDE4D
SCHEMBL3726003 0.89 TYK2 (0.52) TYK2STAT3PDE4D

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
Send feedback