SCHEMBL6605415

SCHEMBL6605415

CCCc1nc(C=O)[nH]c1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 2/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
PRKCA P17252 1/20 0.44
CDK2 P24941 4/20 0.44
CDK4 P11802 3/20 0.44
JAK2 O60674 2/20 0.42
JAK3 P52333 1/20 0.42
CDC7 O00311 2/20 0.42
CAMK2D Q13557 3/20 0.42
PIK3C3 Q8NEB9 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
KDR P35968 1/20 0.40
PLK1 P53350 1/20 0.40
PTK2 Q05397 1/20 0.40
RET P07949 1/20 0.40
GSK3B P49841 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
SCHEMBL5785116 0.80 PRKCD (0.46) PRKCDABL1EGFRPRKCACDK2
SCHEMBL6634930 0.80 CDK2 (0.46) PRKCDABL1EGFRPRKCACDK2
SCHEMBL6606433 0.80 CDK2 (0.46) PRKCDABL1EGFRPRKCACDK2
SCHEMBL6621511 0.75 CDK2 (0.52) PRKCDABL1EGFRPRKCACDK2
SCHEMBL6604495 0.71 PRKCD (0.49) PRKCDABL1EGFRPRKCACDK2
SCHEMBL5095654 0.67 CDK2 (0.48) PRKCDABL1EGFRPRKCACDK2
SCHEMBL4826055 0.67 CDK2 (0.47) PRKCDABL1EGFRPRKCACDK2
SCHEMBL2288555 0.66 CDK2 (0.70) CDK2CDK4CDK1PLK1GSK3B
SCHEMBL4117207 0.66 AURKA (0.59) PRKCDABL1EGFRPRKCACDK2
SCHEMBL6604144 0.65 CDK2 (0.55) PRKCDABL1EGFRPRKCACDK2

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-1490354-A1 4-IMIDAZOLYL SUBSTITUTED PYRIMIDINE DERIVATIVES WITH CDK INHIBITORY ACTIVITY Astrazeneca AB (SE) 2004-12-29 EP disclosed
WO-2003076434-A1 4- IMIDAZOLYL SUBSTUITED PYRIMIDINE DERIVATIVES WITH CDK INHIBITIORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO disclosed