SCHEMBL13745427

SCHEMBL13745427

COC(=O)NC1CCC(Nc2cc(N)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 15/20 0.42
▸ PDE4D Q08499 2/20 0.39
▸ TNF P01375 2/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ NTRK1 P04629 1/20 0.36
▸ ATR Q13535 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
SCHEMBL13013290 0.92 TYK2 (0.49) TYK2PDE4D
SCHEMBL13062377 0.92 TYK2 (0.49) TYK2PDE4D
SCHEMBL3776427 0.89 TYK2 (0.45) TYK2ATR
SCHEMBL3776432 0.89 TYK2 (0.45) TYK2ATR
SCHEMBL13745476 0.87 TYK2 (0.40) TYK2PDE4DATR
SCHEMBL13062635 0.84 TYK2 (0.45) TYK2PDE4D
SCHEMBL13062541 0.84 TYK2 (0.49) TYK2PDE4D
SCHEMBL13062313 0.84 TYK2 (0.45) TYK2PDE4D
SCHEMBL3767183 0.83 TYK2 (0.51) TYK2PDE4D
SCHEMBL3767180 0.83 TYK2 (0.51) TYK2PDE4D

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
WO-2009100375-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 — — WO disclosed
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