SCHEMBL25811650

SCHEMBL25811650

Nc1cc(C2CC2)c(C(F)(F)F)nn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.34
PNMT P11086 1/20 0.32
CNR2 P34972 5/20 0.32
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 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
SCHEMBL31314110 0.71 TDP1 (0.35)
SCHEMBL31435345 0.70 BACE1 (0.36) NOTUMPNMTALOX5APFEN1
SCHEMBL31435343 0.70 BACE1 (0.36) NOTUMPNMTALOX5APFEN1
SCHEMBL24738092 0.68 CA2 (0.33)
SCHEMBL24857294 0.68 NOS3 (0.41)
SCHEMBL22062848 0.68 KRAS (0.33) NOTUMCNR2
SCHEMBL25827014 0.67 NOS3 (0.38) CNR2ALOX5APFEN1
SCHEMBL24784940 0.67 KRAS (0.34) NOTUMCNR2
SCHEMBL25223677 0.66 CNR2 (0.36) CNR2
SCHEMBL31140849 0.66 CNR2 (0.36) CNR2

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
WO-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 WO disclosed