SCHEMBL4022128

SCHEMBL4022128

Cc1ncc(-c2ccnc(N)n2)n1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.47
CDC7 O00311 4/20 0.46
DYRK3 O43781 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MAP3K14 Q99558 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
CDK4 P11802 2/20 0.40
CCNE1 P24864 1/20 0.40
MAPK14 Q16539 5/20 0.40
MAPK13 O15264 2/20 0.39

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
SCHEMBL4020333 0.94 CDC7 (0.53) CDK2CDC7DYRK3CCNT1CDK9
SCHEMBL1447222 0.94 CDK2 (0.53) CDK2CDC7DYRK3CCNT1CDK9
SCHEMBL4243889 0.91 MAPK14 (0.47) CDK2CDC7DYRK3CCNT1CDK9
SCHEMBL4029553 0.86 MAPK14 (0.43) CDK2CDC7DYRK3CCNT1CDK9
SCHEMBL6105497 0.78 CDK2 (0.51) CDK2CDC7DYRK3CCNT1CDK9
SCHEMBL4030274 0.78 CDK2 (0.54) CDK2CDC7DYRK3CCNT1CDK9
SCHEMBL4031036 0.77 CDK2 (0.45) CDK2CDC7DYRK3CCNT1CDK9
SCHEMBL1448411 0.76 CDK2 (0.50) CDK2CDC7DYRK3CCNT1CDK9
SCHEMBL4025419 0.75 CDK2 (0.64) CDK2CCNT1CDK9CDK4CCNE1
SCHEMBL278830 0.75 CDK2 (0.56) CDK2CDC7DYRK3CCNT1CDK9

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
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed