SCHEMBL29861345

SCHEMBL29861345

Cc1ncc2cc(Br)c(=O)n(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 0.41
FGFR1 P11362 7/20 0.38
EGFR P00533 5/20 0.38
SRC P12931 4/20 0.38
FGFR2 P21802 2/20 0.38
FGFR4 P22455 2/20 0.38
FGFR3 P22607 2/20 0.38
ABL1 P00519 2/20 0.37
HSD17B10 Q99714 2/20 0.37
BTK Q06187 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL27263923 1.00 WEE1 (0.41) WEE1FGFR1EGFRSRCFGFR2
SCHEMBL19508031 0.83 WEE1 (0.41) WEE1FGFR1EGFRSRCFGFR2
SCHEMBL25399238 0.82 FGFR1 (0.43) WEE1FGFR1EGFRSRCFGFR2
SCHEMBL31532094 0.82 FGFR1 (0.56) WEE1FGFR1EGFRSRCFGFR2
SCHEMBL12070065 0.80 BTK (0.50) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL29357943 0.80 WEE1 (0.39) WEE1FGFR1EGFRSRCFGFR2
SCHEMBL2261009 0.80 FGFR1 (0.57) WEE1FGFR1EGFRSRCFGFR2
SCHEMBL5061806 0.80 WEE1 (0.39) WEE1FGFR1EGFRSRCFGFR2
SCHEMBL31290940 0.80 FGFR1 (0.57) WEE1FGFR1EGFRSRCFGFR2
SCHEMBL2265749 0.78 WEE1 (0.39) WEE1FGFR1EGFRSRCFGFR2

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
CN-116425742-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2023-07-14 CN disclosed
CN-114901662-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2022-08-12 CN disclosed