SCHEMBL4766534

SCHEMBL4766534

Cc1ccccc1-c1cc2cnc(NC3CCN(S(C)(=O)=O)C3)nc2n(C2CCOCC2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.60
CDK2 P24941 19/20 0.60
CCND1 P24385 15/20 0.60
CDK6 Q00534 15/20 0.60
CCNT1 O60563 5/20 0.60
CDK9 P50750 5/20 0.60
CDK4 P11802 4/20 0.60
CCND3 P30281 1/20 0.55
CCNE2 O96020 1/20 0.55
MAPK14 Q16539 1/20 0.54

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
SCHEMBL3675736 1.00 CCNE1 (0.60) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3673181 0.95 CCNE1 (0.56) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL918045 0.95 CCNE1 (0.67) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3674787 0.93 CCNE1 (0.53) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3679347 0.91 CCNE1 (0.53) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3672972 0.91 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3668200 0.91 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3669727 0.91 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL917525 0.90 CCNE1 (0.59) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3669459 0.89 CCNE1 (0.67) CCNE1CDK2CCND1CDK6CCNT1

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-1931667-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007036791-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2007-04-05 WO disclosed