SCHEMBL1633150

SCHEMBL1633150

Fc1cc(Nc2ncc3c(Br)ccc(OC4CCNCC4)c3n2)ccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.52
CCNE1 P24864 5/20 0.52
CDK2 P24941 5/20 0.52
CDK1 P06493 4/20 0.52
CCNB1 P14635 4/20 0.52
CCND1 P24385 4/20 0.52
SYK P43405 3/20 0.49
JAK2 O60674 3/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
TBK1 Q9UHD2 5/20 0.44
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
CSF1R P07333 4/20 0.42
CDK6 Q00534 4/20 0.42
EGFR P00533 1/20 0.41
PIK3CD O00329 1/20 0.40
CCNA2 P20248 1/20 0.40

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
SCHEMBL1633537 0.91 SYK (0.50) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL1633263 0.91 CDK4 (0.54) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL1633931 0.91 CDK4 (0.52) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL1633643 0.88 CDK4 (0.51) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL1634284 0.86 JAK2 (0.58) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL1633571 0.85 TBK1 (0.54) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL1633410 0.84 SYK (0.52) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL12725730 0.83 SYK (0.48) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL12724963 0.82 CDK4 (0.49) CDK4CCNE1CDK2CDK1CCNB1
SCHEMBL1632896 0.82 MAPK9 (0.49) CDK4CCNE1CDK2CDK1CCNB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed