SCHEMBL30159876

SCHEMBL30159876

NC(=O)c1ccc(Br)c2c3c([nH]c12)CCC1(CC1)C3

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
BTK Q06187 14/20 0.40
JAK2 O60674 1/20 0.40
MEN1 O00255 1/20 0.40
IKBKB O14920 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK10 P53779 1/20 0.40
KMT2A Q03164 1/20 0.40
CGAS Q8N884 3/20 0.32
ERN1 O75460 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
SCHEMBL30160170 0.88 GFER (0.40) ALOX15MAPK1HSD17B10MEN1IKBKB
SCHEMBL30159806 0.88 GFER (0.40) ALOX15MAPK1HSD17B10MEN1IKBKB
SCHEMBL30240153 0.85 ALOX15 (0.38) ALOX15MAPK1HSD17B10CASP1CASP7
SCHEMBL24192045 0.84 GFER (0.41) ALOX15MAPK1HSD17B10CASP1CASP7
SCHEMBL24191951 0.84 GFER (0.41) ALOX15MAPK1HSD17B10CASP1CASP7
SCHEMBL150083 0.81 HSD17B10 (0.58) ALOX15MAPK1HSD17B10CASP1CASP7
SCHEMBL19279340 0.80 BTK (0.55) ALOX15MAPK1HSD17B10CASP1CASP7
SCHEMBL30159980 0.77 HSD17B10 (0.41) ALOX15MAPK1HSD17B10CASP1CASP7
SCHEMBL24192628 0.76 GFER (0.35)
SCHEMBL24192346 0.76 GFER (0.35)

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-4132910-A1 KINASE INHIBITORS GB002, Inc. (US) 2023-02-15 EP disclosed
CN-115667218-A Kinase inhibitors GB005股份有限公司 2023-01-31 CN disclosed