SCHEMBL30107294

SCHEMBL30107294

COC(=O)c1cc(Br)c(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
SOS1 Q07889 1/20 0.44
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 2/20 0.40

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
SCHEMBL155216 1.00 NOTUM (0.45) NOTUMSOS1PDGFRBFGFR1PDGFRA
SCHEMBL31385726 0.92 NOTUM (0.45) NOTUMSOS1PDGFRBFGFR1PDGFRA
SCHEMBL18420521 0.92 NOTUM (0.45) NOTUMSOS1PDGFRBFGFR1PDGFRA
SCHEMBL5154161 0.90 SOS1 (0.45) NOTUMSOS1MAPTALDH1A1KDM4E
SCHEMBL2538919 0.88 KMT2A (0.44) NOTUMSOS1MAPTALDH1A1KDM4E
SCHEMBL20036871 0.88 KMT2A (0.44) NOTUMSOS1PDGFRBFGFR1PDGFRA
SCHEMBL3187202 0.85 KDM4E (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL168324 0.85 CA1 (0.50) NOTUMSOS1MAPTALDH1A1KDM4E
SCHEMBL21438937 0.85 CCR6 (0.47) NOTUMSOS1PDGFRBFGFR1PDGFRA
SCHEMBL3411975 0.83 SOS1 (0.48) NOTUMSOS1MAPTALDH1A1KDM4E

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-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed