SCHEMBL31079873

SCHEMBL31079873

COC(=O)c1cc(Br)c(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.50
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOTUM Q6P988 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 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
SCHEMBL365953 1.00 SOS1 (0.50) SOS1LMNATSHRNPSR1NOTUM
SCHEMBL1044961 0.92 SOS1 (0.46) SOS1LMNATSHRNPSR1NOTUM
SCHEMBL31394743 0.90 SOS1 (0.51) SOS1LMNATSHRNPSR1NOTUM
SCHEMBL14349262 0.89 SOS1 (0.50) SOS1LMNATSHRNPSR1NOTUM
SCHEMBL1977588 0.85 CA1 (0.49) SOS1LMNATSHRNPSR1NOTUM
SCHEMBL20571340 0.85 SOS1 (0.48) SOS1LMNATSHRNPSR1NOTUM
SCHEMBL31565672 0.85 SOS1 (0.48) SOS1LMNATSHRNPSR1NOTUM
SCHEMBL3411975 0.85 SOS1 (0.48) SOS1LMNATSHRNPSR1NOTUM
SCHEMBL2316462 0.85 SOS1 (0.48) SOS1LMNATSHRNPSR1NOTUM
SCHEMBL30012638 0.85 SOS1 (0.48) SOS1LMNATSHRNPSR1NOTUM

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