SCHEMBL30148348

SCHEMBL30148348

CCC(N)c1cccc(Cl)c1F

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.64
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
PNMT P11086 1/20 0.44

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
SCHEMBL30140001 1.00 CFD (0.64) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL10217259 0.81 CFD (0.59) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL17023736 0.81 CFD (0.59) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL12480093 0.81 CFD (0.59) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL29781979 0.81 CFD (0.59) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL30682759 0.81 CFD (0.42) CFD
SCHEMBL30682599 0.81 CFD (0.42) CFD
SCHEMBL26951122 0.81 CFD (0.42) CFD
SCHEMBL9618239 0.81 PNMT (0.62) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL26951121 0.81 CFD (0.42) CFD

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-2022266427-A1 4-(ARYL-METHYL-AMINO)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed