SCHEMBL31293519

SCHEMBL31293519

COc1cccc(NC(=O)NC2CC3(C2)CN(C(=O)c2cnn4ccsc24)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
ALOX15 P16050 2/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCKBR P32239 6/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CXCR3 P49682 1/20 0.38

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
SCHEMBL31293631 0.90 EPHX2 (0.43) EPHX2CCKBRCXCR3
SCHEMBL31293858 0.88 KMT2A (0.43) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL31293875 0.85 EPHX2 (0.46) MEN1MAPTKMT2AEPHX2ALDH1A1
SCHEMBL31293436 0.83 UBE2M (0.35) MEN1KMT2AEPHX2ALDH1A1SMN1; SMN2
SCHEMBL31293678 0.80 ADORA3 (0.33) EPHX2SMN1; SMN2TP53CXCR3
SCHEMBL31293522 0.80 GRM7 (0.36) MEN1KMT2AEPHX2
SCHEMBL31293851 0.78 SCN10A (0.35) MEN1KMT2AEPHX2CXCR3
SCHEMBL31293675 0.78 CDK8 (0.43) EPHX2CCNCCDK8
SCHEMBL31293924 0.76 EPHX2 (0.41) RAB9ANPC1MEN1KMT2AEPHX2
SCHEMBL31293554 0.76 SPR (0.39)

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