SCHEMBL31723386

SCHEMBL31723386

COC(C)(C)C(F)n1cnc2ccc(Br)c(Cl)c2c1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.32
CCNB1 P14635 4/20 0.32
GSK3A P49840 4/20 0.32
GSK3B P49841 4/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
GLP1R P43220 1/20 0.32
BRAF P15056 1/20 0.31

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
SCHEMBL31723359 0.86 BRAF (0.34) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL30987339 0.75 CDK1 (0.44) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL31723357 0.74 TNF (0.36) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL29969954 0.71 BRAF (0.42) BRAF
SCHEMBL30987326 0.69 BRAF (0.36) BRAF
SCHEMBL24879123 0.68 BRAF (0.46) BRAF
SCHEMBL31723352 0.68 BRAF (0.38) CDK1CCNB1GSK3AGSK3BBRAF
SCHEMBL24878852 0.64 ESR2 (0.50) BRAF
SCHEMBL22832007 0.64 GSK3A (0.48) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL24879033 0.63 CLK1 (0.48) 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