SCHEMBL22739074

SCHEMBL22739074

C=C(/C=C\C=C(/C)c1nncn1C1CC1)NC(=O)c1cc(-n2cnc(C(F)(F)F)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 19/20 0.43
▸ AKT1 P31749 2/20 0.31
▸ FLT3 P36888 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30
▸ MERTK Q12866 1/20 0.30
▸ GAS6 Q14393 1/20 0.30

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
SCHEMBL23720730 0.79 MAP3K5 (0.36) MAP3K5
SCHEMBL22739085 0.73 MAP3K5 (0.30) MAP3K5
SCHEMBL23721197 0.72 CBLB (0.31) MAP3K5
SCHEMBL944438 0.71 MAP3K5 (0.77) MAP3K5
SCHEMBL945206 0.71 MAP3K5 (0.58) MAP3K5
SCHEMBL22739020 0.70 — —
SCHEMBL22739206 0.67 MAP3K5 (0.48) MAP3K5FLT3TYRO3MERTKGAS6
SCHEMBL23721303 0.66 PIK3C3 (0.42) MAP3K5
SCHEMBL944049 0.66 MAP3K5 (0.75) MAP3K5
SCHEMBL22739290 0.66 EGFR (0.33) —

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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