SCHEMBL4030180

SCHEMBL4030180

COCc1ncc(-c2ccnc(N)n2)n1C(C)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.46
DYRK3 O43781 2/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
DYRK1A Q13627 2/20 0.41
DYRK2 Q92630 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
CDC7 O00311 4/20 0.38
CDK4 P11802 3/20 0.36
MAP3K14 Q99558 1/20 0.36
CCNA2 P20248 2/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
KCNH2 Q12809 3/20 0.34
MAPK14 Q16539 1/20 0.34
CDK1 P06493 1/20 0.34
CCNE1 P24864 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34

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
SCHEMBL4031036 0.81 CDK2 (0.45) CDK2DYRK3CCNT1CDK9DYRK1A
SCHEMBL5102065 0.73 CCNT1 (0.44) CDK2DYRK3CCNT1CDK9DYRK1A
SCHEMBL5258483 0.72 CDC7 (0.46) CDK2DYRK3CCNT1CDK9DYRK1A
SCHEMBL4024077 0.72 CDK2 (0.46) CDK2DYRK3CCNT1CDK9DYRK1A
SCHEMBL4248467 0.70 CDK2 (0.54) CDK2DYRK3CCNT1CDK9DYRK1A
SCHEMBL5109492 0.69 CDK2 (0.72) CDK2CCNT1CDK9CDK4CCNA2
SCHEMBL1447807 0.68 MAPK14 (0.42) CDK2DYRK3CCNT1CDK9DYRK1A
SCHEMBL5102072 0.68 MAPK14 (0.37) CDK2DYRK3CCNT1CDK9DYRK1A
SCHEMBL278830 0.68 CDK2 (0.56) CDK2DYRK3CCNT1CDK9DYRK1A
SCHEMBL4022085 0.66 CDC7 (0.51) CDK2DYRK3CCNT1CDK9DYRK1A

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