SCHEMBL31723357

SCHEMBL31723357

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.36
BRAF P15056 3/20 0.35
CDK1 P06493 5/20 0.34
CCNB1 P14635 5/20 0.34
GSK3A P49840 5/20 0.34
GSK3B P49841 5/20 0.34
HSD17B13 Q7Z5P4 3/20 0.32
MCL1 Q07820 1/20 0.32
DDR1 Q08345 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
TRPA1 O75762 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL31723355 0.85 BRAF (0.36) TNFBRAFCDK1CCNB1GSK3A
SCHEMBL31723352 0.85 BRAF (0.38) TNFBRAFCDK1CCNB1GSK3A
SCHEMBL30987296 0.80 HSD17B13 (0.41) HSD17B13TRPA1
SCHEMBL24879123 0.80 BRAF (0.46) TNFBRAFHSD17B13LMNA
SCHEMBL31723380 0.78 GRM2 (0.33)
SCHEMBL31723379 0.75 MCL1 (0.56) TNFMCL1DDR1LMNA
SCHEMBL24879033 0.74 CLK1 (0.48) TNFBRAFHSD17B13LMNA
SCHEMBL31723386 0.74 CDK1 (0.32) BRAFCDK1CCNB1GSK3AGSK3B
SCHEMBL31723372 0.74 PTPN11 (0.34) TNF
SCHEMBL29969954 0.73 BRAF (0.42) BRAF

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