SCHEMBL7767535

SCHEMBL7767535

Cc1ccc(F)c(Nc2ccnc(Cl)n2)c1.Clc1ccnc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.50
CDK4 P11802 5/20 0.50
CCNE1 P24864 1/20 0.50
GRM4 Q14833 1/20 0.40
KCNN3 Q9UGI6 1/20 0.37
AURKA O14965 2/20 0.36
GRM5 P41594 2/20 0.36
APP P05067 1/20 0.36
MAPK10 P53779 1/20 0.35
SYK P43405 1/20 0.34
MAPK14 Q16539 1/20 0.34
PIK3CG P48736 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
MAPK8 P45983 1/20 0.33
GSK3B P49841 1/20 0.33
AURKB Q96GD4 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL5261001 0.95 CDK4 (0.54) CDK2CDK4CCNE1GRM4KCNN3
SCHEMBL5388892 0.80 MAPK14 (0.46) CDK2CDK4CCNE1MAPK10SYK
SCHEMBL658219 0.80 CDK4 (0.47) CDK2CDK4CCNE1AURKASYK
SCHEMBL4433403 0.77 MEN1 (0.43) CDK2CDK4CCNE1APPPIK3CG
SCHEMBL5397901 0.76 CDK2 (0.47) CDK2CDK4CCNE1AURKAAPP
SCHEMBL5402771 0.75 RAB9A (0.44) CDK2CDK4CCNE1SYKMAPK14
SCHEMBL18386919 0.75 APP (0.40) CDK2CDK4CCNE1APPMAPK10
SCHEMBL4433335 0.75 RECQL (0.41) CDK2CDK4CCNE1AURKAGRM5
SCHEMBL14611819 0.75 CDK4 (0.51) CDK2CDK4CCNE1GRM4KCNN3
SCHEMBL12813310 0.74 AURKA (0.61) CDK2CDK4AURKAMAPK10SYK

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-1107957-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012485-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed