SCHEMBL18192971

SCHEMBL18192971

CN(C)CCN(C(=O)O)[C@H]1CC[C@H](Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(F)c4)n3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.45
▸ STAT3 P40763 1/20 0.39
▸ PDE4D Q08499 2/20 0.38
▸ TTK P33981 1/20 0.35

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
SCHEMBL18193000 0.93 TYK2 (0.44) TYK2STAT3PDE4DTTK
SCHEMBL3782051 0.90 TYK2 (0.47) TYK2STAT3PDE4DTTK
SCHEMBL3782048 0.90 TYK2 (0.47) TYK2STAT3PDE4DTTK
SCHEMBL18192967 0.88 TYK2 (0.48) TYK2STAT3PDE4DTTK
SCHEMBL13013407 0.87 TYK2 (0.48) TYK2STAT3PDE4DTTK
SCHEMBL3720542 0.87 TYK2 (0.48) TYK2STAT3PDE4DTTK
SCHEMBL3720533 0.87 TYK2 (0.48) TYK2STAT3PDE4DTTK
SCHEMBL18192995 0.87 TYK2 (0.45) TYK2STAT3PDE4DTTK
SCHEMBL3724517 0.86 TYK2 (0.47) TYK2STAT3PDE4DTTK
SCHEMBL13013405 0.86 TYK2 (0.47) TYK2STAT3PDE4DTTK

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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