SCHEMBL18192995

SCHEMBL18192995

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

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.45
▸ STAT3 P40763 1/20 0.37
▸ PDE4D Q08499 2/20 0.36
▸ TTK P33981 1/20 0.35
▸ IRAK4 Q9NWZ3 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
SCHEMBL18192969 0.96 TYK2 (0.43) TYK2STAT3PDE4DTTKIRAK4
SCHEMBL18192984 0.96 TYK2 (0.43) TYK2STAT3PDE4DTTKIRAK4
SCHEMBL18192951 0.94 TYK2 (0.45) TYK2STAT3PDE4DTTKIRAK4
SCHEMBL18192999 0.93 TYK2 (0.44) TYK2STAT3PDE4DTTKIRAK4
SCHEMBL18192988 0.91 TYK2 (0.42) TYK2STAT3PDE4DTTK
SCHEMBL18192985 0.91 TYK2 (0.43) TYK2STAT3PDE4D
SCHEMBL18192920 0.90 TYK2 (0.44) TYK2STAT3PDE4DTTKIRAK4
SCHEMBL18192948 0.90 TYK2 (0.44) TYK2STAT3PDE4DTTKIRAK4
SCHEMBL18192950 0.90 TYK2 (0.48) TYK2STAT3PDE4DTTK
SCHEMBL18192953 0.90 TYK2 (0.44) TYK2STAT3PDE4DTTKIRAK4

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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