SCHEMBL6596532

SCHEMBL6596532

CC(C)c1ncc(-c2ccnc(N)n2)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.45
DYRK3 O43781 2/20 0.45
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
DYRK2 Q92630 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
MAP3K14 Q99558 1/20 0.45
CDC7 O00311 5/20 0.43
CDK2 P24941 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNA2 P20248 1/20 0.40
HSP90AA1 P07900 3/20 0.40
AURKA O14965 1/20 0.40
PRKACA P17612 1/20 0.40
ADORA2A P29274 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PTK2 Q05397 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL1448021 0.81 CDC7 (0.46) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL6105497 0.80 CDK2 (0.51) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL6595871 0.76 DYRK1A (0.45) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL6595694 0.75 DYRK1A (0.44) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL5109523 0.74 KDR (0.53) DYRK1ACCNT1CDK9CDK2CDK5
SCHEMBL278830 0.73 CDK2 (0.56) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL1447697 0.71 CDC7 (0.46) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL5109260 0.70 MAPK14 (0.49) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL4031036 0.70 CDK2 (0.45) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL22692182 0.70 LMNA (0.45) KDM4EALDH1A1MAPTLMNASMN1; SMN2

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-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed