SCHEMBL6119458

SCHEMBL6119458

Fc1cccc(CNc2cc(-c3cc(F)ncc3Cl)ccc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.49
ORAI1 Q96D31 1/20 0.49
CCNT1 O60563 10/20 0.48
CDK9 P50750 10/20 0.48
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL6118493 0.89 CCNT1 (0.48) STIM1ORAI1CCNT1CDK9CLK4
SCHEMBL6118228 0.86 CDK9 (0.46) STIM1ORAI1CCNT1CDK9CLK4
SCHEMBL6118660 0.84 CCNT1 (0.58) STIM1ORAI1CCNT1CDK9CLK4
SCHEMBL8797737 0.80 CCNT1 (0.70) CCNT1CDK9
SCHEMBL6122817 0.80 CCNT1 (0.73) STIM1ORAI1CCNT1CDK9
SCHEMBL1192389 0.79 CCNT1 (0.58) CCNT1
SCHEMBL6118582 0.79 CCNT1 (0.60) CCNT1
SCHEMBL6118589 0.79 CCNT1 (0.60) CCNT1
SCHEMBL8789416 0.77 CCNT1 (0.65) CCNT1CDK9
SCHEMBL30859468 0.76 CCNT1 (0.80) CCNT1

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-2012066065-A1 PHENYL-HETEROARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-05-24 WO disclosed