SCHEMBL6989691

SCHEMBL6989691

FC(F)(F)C1CCCN1c1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 7/20 0.61
CDK1 P06493 4/20 0.61
CDK2 P24941 4/20 0.61
CAMK2D Q13557 6/20 0.55
MTOR P42345 3/20 0.51
CSNK2A1 P68400 2/20 0.51
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
CDK4 P11802 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
CCNT1 O60563 1/20 0.49
CCNB1 P14635 1/20 0.49
XBP1 P17861 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL6987209 0.85 SMG1 (0.62) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6097424 0.82 SMG1 (0.57) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6095496 0.80 SMG1 (0.59) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6098077 0.80 SMG1 (0.58) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6109641 0.78 SMG1 (0.78) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL28749736 0.78 SMG1 (0.56) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL27580808 0.76 SMG1 (0.66) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6093641 0.76 SMG1 (0.66) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL6107663 0.76 SMG1 (1.00) SMG1CDK1CDK2CAMK2DMTOR
SCHEMBL5630858 0.74 SMG1 (0.65) SMG1CDK1CDK2CAMK2DMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349849-A1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES Syngenta Participations AG (CH) 2003-10-08 EP claimed
WO-2002053560-A1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-07-11 WO claimed