SCHEMBL4031179

SCHEMBL4031179

CCc1ncc(-c2ccnc(N)n2)n1C(C)(C)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.45
CDK9 P50750 4/20 0.45
DYRK3 O43781 2/20 0.45
DYRK1A Q13627 2/20 0.45
DYRK2 Q92630 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
MAP3K14 Q99558 1/20 0.40
NUDT1 P36639 3/20 0.38
CDC7 O00311 6/20 0.37
AAK1 Q2M2I8 1/20 0.36
HSP90AA1 P07900 2/20 0.35
AURKA O14965 1/20 0.35
PRKACA P17612 1/20 0.35
ADORA2A P29274 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL4026620 0.90 CCNT1 (0.44) CCNT1CDK9DYRK3DYRK1ADYRK2
SCHEMBL5102065 0.89 CCNT1 (0.44) CCNT1CDK9DYRK3DYRK1ADYRK2
SCHEMBL4024211 0.83 CCNT1 (0.48) CCNT1CDK9DYRK3DYRK1ADYRK2
SCHEMBL6595871 0.78 DYRK1A (0.45) CCNT1CDK9DYRK3DYRK1ADYRK2
SCHEMBL5258483 0.75 CDC7 (0.46) CCNT1CDK9DYRK3DYRK1ADYRK2
SCHEMBL4022085 0.71 CDC7 (0.51) CCNT1CDK9DYRK3DYRK1ADYRK2
SCHEMBL6595714 0.67 CDK2 (0.52) CCNT1CDK9DYRK3DYRK1ADYRK2
SCHEMBL1447550 0.66 CDC7 (0.46) CCNT1CDK9DYRK3DYRK1ADYRK2
SCHEMBL6596348 0.65 DYRK1A (0.46) CCNT1CDK9DYRK3DYRK1ADYRK2
SCHEMBL4030180 0.65 CDK2 (0.46) CCNT1CDK9DYRK3DYRK1ADYRK2

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