SCHEMBL31395201

SCHEMBL31395201

Cc1ccc(Br)nc1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.34
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
GRK5 P34947 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
CDK8 P49336 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PRKX P51817 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
MAP2K1 Q02750 1/20 0.34
PRKCQ Q04759 1/20 0.34
MAP4K2 Q12851 1/20 0.34
DYRK1A Q13627 1/20 0.34
IKBKE Q14164 1/20 0.34
NTRK3 Q16288 1/20 0.34

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
SCHEMBL22129397 1.00 CHEK1 (0.34) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL9426003 0.77 USP30 (0.39) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL929272 0.77 KMT2A (0.42) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL19715553 0.77 MBOAT4 (0.35) USP8USP7ERBB2
SCHEMBL21928126 0.76 NQO1 (0.39) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL23595059 0.75 RECQL (0.44) USP8KMT2ATSHRUSP7RECQL
SCHEMBL17399657 0.74 NOS3 (0.52) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL2946216 0.74 NQO2 (0.34) MEN1KMT2AUSP7ERBB2
SCHEMBL3719102 0.74 KDM4E (0.37) MAPK14USP8ALDH1A1KMT2ALMNA
SCHEMBL24417209 0.74 USP8 (0.36) CHEK1ABL1PDGFRBPDGFRAFLT1

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-119546608-A Novel imidazopyridine and pyrazolopyridine sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-02-28 CN disclosed