SCHEMBL22738967

SCHEMBL22738967

CS(=O)(=O)c1cccc(-c2ccnc(C(=O)NC3=CC(c4nncn4C4CC4)=CCC=C3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 12/20 0.45
▸ CHKA P35790 1/20 0.36
▸ CBLB Q13191 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ MYLK Q15746 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ TNF P01375 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ APLNR P35414 1/20 0.32

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
SCHEMBL22739076 0.82 MAP3K5 (0.40) MAP3K5CBLBTNF
SCHEMBL935226 0.81 MAP3K5 (0.62) MAP3K5CHKACBLBPLK4
SCHEMBL23721029 0.80 MAP3K5 (0.40) MAP3K5MYLK
SCHEMBL944473 0.76 MAP3K5 (0.62) MAP3K5CHKACBLB
SCHEMBL944605 0.73 MAP3K5 (0.52) MAP3K5MYLKTNF
SCHEMBL20473178 0.73 MAP3K5 (0.41) MAP3K5CHKAMYLKPDE4ATNF
SCHEMBL22738975 0.70 MAP3K5 (0.42) MAP3K5CBLBMYLKTNF
SCHEMBL944324 0.70 MAP3K5 (0.60) MAP3K5CBLBMYLK
SCHEMBL934737 0.70 MAP3K5 (0.60) MAP3K5CBLB
SCHEMBL945424 0.70 MAP3K5 (0.60) MAP3K5CBLBMYLK

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-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 — — EP disclosed
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