SCHEMBL6210941

SCHEMBL6210941

CONc1cc(C(F)(F)F)nc(-c2ccccn2)n1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
KMT2A Q03164 3/20 0.70
CYP1A2 P05177 5/20 0.69
GAA P10253 2/20 0.66
ALDH1A1 P00352 4/20 0.61
MDM2 Q00987 1/20 0.59
BLM P54132 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
CYP2C9 P11712 3/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
METAP1 P53582 1/20 0.43

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
SCHEMBL5479437 0.83 KMT2A (0.76) KDM4EKMT2ACYP1A2GAAALDH1A1
SCHEMBL5489658 0.83 KMT2A (0.72) KDM4EKMT2ACYP1A2GAAALDH1A1
SCHEMBL2016910 0.83 KMT2A (1.00) KDM4EKMT2ACYP1A2GAAALDH1A1
SCHEMBL5481510 0.81 KMT2A (0.69) KDM4EKMT2ACYP1A2GAAALDH1A1
SCHEMBL5477209 0.81 KMT2A (0.73) KDM4EKMT2ACYP1A2GAAALDH1A1
SCHEMBL5477051 0.80 KMT2A (0.83) KDM4EKMT2ACYP1A2GAAALDH1A1
SCHEMBL5482879 0.80 KMT2A (0.83) KDM4EKMT2ACYP1A2GAAALDH1A1
SCHEMBL5486449 0.79 KMT2A (0.81) KDM4EKMT2ACYP1A2GAAALDH1A1
SCHEMBL5483247 0.79 KMT2A (0.77) KDM4EKMT2ACYP1A2GAAALDH1A1
SCHEMBL5482810 0.78 KMT2A (0.76) KDM4EKMT2ACYP1A2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351691-A4 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-06-22 EP disclosed
EP-1351691-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2003-10-15 EP disclosed
WO-2002047690-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-06-20 WO disclosed