SCHEMBL31723352

SCHEMBL31723352

CC(C)(O)Cn1cnc2ccc(Br)c(Cl)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.38
HSD17B13 Q7Z5P4 4/20 0.36
GSK3A P49840 5/20 0.35
GSK3B P49841 5/20 0.35
CDK1 P06493 4/20 0.35
CCNB1 P14635 4/20 0.35
TRPA1 O75762 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
TNF P01375 1/20 0.33
MCL1 Q07820 1/20 0.33
FDPS P14324 1/20 0.33
MAP2K1 Q02750 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL31723357 0.85 TNF (0.36) BRAFHSD17B13GSK3AGSK3BCDK1
SCHEMBL24879123 0.77 BRAF (0.46) BRAFHSD17B13TNF
SCHEMBL24879033 0.76 CLK1 (0.48) BRAFHSD17B13TNF
SCHEMBL31723359 0.75 BRAF (0.34) BRAFHSD17B13GSK3AGSK3BCDK1
SCHEMBL29969954 0.75 BRAF (0.42) BRAF
SCHEMBL22832076 0.74 BRAF (0.47) BRAFGSK3AGSK3BCDK1CCNB1
SCHEMBL30987319 0.74 MCL1 (0.58) TRPA1TNFMCL1
SCHEMBL30987326 0.72 BRAF (0.36) BRAF
SCHEMBL30987315 0.72 USP7 (0.45) HSD17B13
SCHEMBL20786904 0.71 MCL1 (0.46) MCL1

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
EP-4647433-A1 SHP2 INHIBITOR AND USES THEREOF Kanaph Therapeutics Inc. (KR) 2025-11-12 EP disclosed