SCHEMBL5785122

SCHEMBL5785122

CC(CC=O)c1ncc(-c2ccnc(Nc3ccccc3)n2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 2/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
PRKCA P17252 1/20 0.46
CDC7 O00311 2/20 0.44
CDK2 P24941 6/20 0.43
CDK4 P11802 5/20 0.43
PIK3C3 Q8NEB9 2/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 1/20 0.42
CAMK2D Q13557 3/20 0.41
GSK3B P49841 2/20 0.41
DYRK1A Q13627 1/20 0.41
CDK1 P06493 2/20 0.40
CCNB2 O95067 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
KDR P35968 1/20 0.39
PLK1 P53350 1/20 0.39
PTK2 Q05397 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
SCHEMBL5781715 0.84 PRKCD (0.51) PRKCDABL1EGFRPRKCACDC7
SCHEMBL5783474 0.81 CDK2 (0.59) CDK2CDK4CDK1IKBKB
SCHEMBL6605419 0.80 PRKCD (0.47) PRKCDABL1EGFRPRKCACDC7
SCHEMBL5785112 0.76 PRKCD (0.50) PRKCDABL1EGFRPRKCACDC7
SCHEMBL6106023 0.75 CDK2 (0.56) PRKCDABL1EGFRPRKCACDC7
SCHEMBL6604495 0.75 PRKCD (0.49) PRKCDABL1EGFRPRKCACDC7
SCHEMBL6608947 0.74 CDK2 (0.43) CDK2CDK4GSK3BCDK1CCNB1
SCHEMBL6634935 0.72 PRKCD (0.44) PRKCDABL1EGFRPRKCACDC7
SCHEMBL8252390 0.70 PRKCD (0.45) PRKCDABL1EGFRPRKCACDC7
SCHEMBL6604551 0.69 CDC7 (0.41) PRKCDABL1EGFRPRKCACDC7

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-1631566-A1 2-ANILINO-4-(IMIDAZOL-5-YL)-PYRIMIDINE DERIVATIVES AND THEIR USE AS CDK (CDK2) INHIBITORS Astrazeneca AB (SE) 2006-03-08 EP disclosed
WO-2004101549-A1 2-ANILINO-4-(IMIDAZOL-5-YL)-PYRIMIDINE DERIVATIVES AND THEIR USE AS CDK (CDK2) INHIBITORS ASTRAZENECA AB (SE) 2004-11-25 WO disclosed