SCHEMBL6644101

SCHEMBL6644101

CCOCC(O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.75
CDK4 P11802 7/20 0.75
IGF1R P08069 5/20 0.57
GSK3B P49841 1/20 0.54
CHEK1 O14757 1/20 0.52
NTRK2 Q16620 1/20 0.52
CDK1 P06493 3/20 0.51
KDR P35968 1/20 0.51
CDK19 Q9BWU1 1/20 0.49
ALK Q9UM73 1/20 0.49
CCNB1 P14635 1/20 0.48
CCNE1 P24864 1/20 0.48
SYK P43405 1/20 0.47
MAPK8 P45983 1/20 0.47

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
SCHEMBL29644990 0.86 CDK4 (1.00) CDK2CDK4IGF1RGSK3B
SCHEMBL29644986 0.86 CDK4 (1.00) CDK2CDK4IGF1RGSK3B
SCHEMBL5581900 0.86 CDK4 (1.00) CDK2CDK4IGF1RGSK3B
SCHEMBL6641459 0.84 CDK2 (0.79) CDK2CDK4IGF1RGSK3BCHEK1
SCHEMBL6643974 0.81 CDK4 (0.68) CDK2CDK4IGF1RGSK3BCHEK1
SCHEMBL6644486 0.78 CDK4 (0.86) CDK2CDK4IGF1RCHEK1NTRK2
SCHEMBL6826387 0.78 CDK2 (0.64) CDK2CDK4IGF1RGSK3BCHEK1
SCHEMBL6829108 0.78 CDK2 (0.64) CDK2CDK4IGF1RGSK3BCHEK1
SCHEMBL6829794 0.78 CDK2 (0.64) CDK2CDK4IGF1RGSK3BCHEK1
SCHEMBL6644644 0.78 CDK4 (0.75) CDK2CDK4IGF1RNTRK2CDK1

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-1140860-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-09-22 EP disclosed
US-6593326-B1 Useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described. Apoptotic effect in a warm-blooded animal such as man. ASTRAZENECA AB (SE) 2003-07-15 US disclosed