SCHEMBL4765796

SCHEMBL4765796

CC(=O)N1CCC(n2c(=O)c(-c3ccccc3C)cc3cnc(NC4CCN(C(=O)c5ccccc5)CC4)nc32)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.45
CCNE1 P24864 15/20 0.45
CCND1 P24385 12/20 0.45
CDK6 Q00534 11/20 0.45
CDK4 P11802 2/20 0.45
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
MAPK14 Q16539 3/20 0.43
CCNA2 P20248 3/20 0.43
CCNA1 P78396 3/20 0.43
AURKA O14965 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
MAPK1 P28482 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
LCK P06239 1/20 0.42

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
SCHEMBL3677074 1.00 CDK2 (0.45) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3674104 1.00 CDK2 (0.45) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3670797 0.96 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3677941 0.94 MAPK14 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3674729 0.94 MAPK14 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3673605 0.94 CCNE1 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3669287 0.94 CCNE1 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL4722727 0.94 CCNE1 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3670875 0.93 CCNE1 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3671028 0.93 CCNE1 (0.47) CDK2CCNE1CCND1CDK6CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
EP-1931667-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
WO-2007036791-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2007-04-05 WO disclosed