SCHEMBL31293522

SCHEMBL31293522

COc1ccc(OC(F)(F)F)cc1NC(=O)NC1CC2(C1)CN(C(=O)c1cnn3ccsc13)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 6/20 0.36
EPHX2 P34913 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX1 P07099 1/20 0.35
CYP2D6 P10635 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
CYP3A4 P08684 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL31293564 0.87 GRM7 (0.37) GRM7EPHX2MEN1KMT2AEPHX1
SCHEMBL31293848 0.86 IRAK4 (0.48) GRM7EPHX2MEN1KMT2AEPHX1
SCHEMBL31293631 0.85 EPHX2 (0.43) EPHX2EPHX1
SCHEMBL31293937 0.85 IRAK4 (0.48) IRAK4
SCHEMBL31293918 0.84 KDR (0.36) EPHX2
SCHEMBL31293619 0.83 CHEK1 (0.36) GRM7EPHX2EPHX1IRAK4
SCHEMBL31293884 0.81 MEN1 (0.37) GRM7EPHX2MEN1KMT2AEPHX1
SCHEMBL31293917 0.81 ROCK2 (0.33) EPHX2CYP3A4
SCHEMBL31293519 0.80 RAB9A (0.46) EPHX2MEN1KMT2A
SCHEMBL31293525 0.79 MAPT (0.36) MEN1KMT2AIRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP claimed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO claimed