SCHEMBL31293631

SCHEMBL31293631

O=C(Nc1cccc(OC(F)(F)F)c1)NC1CC2(C1)CN(C(=O)c1cnn3ccsc13)C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.43
CXCR3 P49682 2/20 0.40
MGLL Q99685 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
KDR P35968 2/20 0.36
EPHX1 P07099 2/20 0.36
CCKBR P32239 1/20 0.36
BRAF P15056 1/20 0.36
NAMPT P43490 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
SCHEMBL31293519 0.90 RAB9A (0.46) EPHX2CXCR3CCKBR
SCHEMBL31293875 0.88 EPHX2 (0.46) EPHX2
SCHEMBL31293858 0.87 KMT2A (0.43) EPHX2
SCHEMBL31293918 0.87 KDR (0.36) EPHX2KDRBRAF
SCHEMBL31293436 0.86 UBE2M (0.35) EPHX2CCKBR
SCHEMBL31293522 0.85 GRM7 (0.36) EPHX2EPHX1
SCHEMBL31293851 0.81 SCN10A (0.35) EPHX2CXCR3KDR
SCHEMBL31293675 0.79 CDK8 (0.43) EPHX2KDR
SCHEMBL31293410 0.79 ENPP2 (0.35) EPHX2CXCR3
SCHEMBL31293478 0.78 SYK (0.39) EPHX2BRAF

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 4 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
EP-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP disclosed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO disclosed