SCHEMBL31079696

SCHEMBL31079696

COCCNC(=O)c1cc(N)c(F)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HPGD P15428 7/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
POLB P06746 1/20 0.44
MAPK14 Q16539 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.42
JAK2 O60674 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL23243185 1.00 ALOX15 (0.45) ALOX15HPGDCA12CA1CA2
SCHEMBL5596357 0.80 CYP1A2 (0.41) HPGDMAPK1CYP2C9ALDH1A1HSD17B10
SCHEMBL23781932 0.78 MAPK14 (0.43) HPGDMAPK14ALDH1A1
SCHEMBL2248029 0.78 ALOX15 (0.43) ALOX15HPGDCA12CA1CA2
SCHEMBL31080125 0.77 GAA (0.46) JAK2MEN1KMT2A
SCHEMBL23243142 0.77 GAA (0.46) JAK2MEN1KMT2A
SCHEMBL31470552 0.77 KDM4E (0.50) ALOX15HPGDPOLBMAPK1ALDH1A1
SCHEMBL38663775 0.77 KDM4E (0.50) ALOX15HPGDPOLBMAPK1ALDH1A1
SCHEMBL17979932 0.77 ALOX15 (0.50) ALOX15HPGDCA12CA1CA2
SCHEMBL31079860 0.77 ALOX15 (0.50) ALOX15HPGDCA12CA1CA2

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
CN-113227089-B Substituted 6-azabenzimidazole compounds as HPK1 inhibitors 吉利德科学公司 2024-07-05 CN disclosed