SCHEMBL4724993

SCHEMBL4724993

O=c1ccc2cnc(C3CCOC3)nc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
HCAR1 Q9BXC0 1/20 0.36
MAP3K12 Q12852 1/20 0.35
ABL1 P00519 2/20 0.34
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CDK7 P50613 3/20 0.32
CCNH P51946 3/20 0.32
MNAT1 P51948 3/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
XDH P47989 1/20 0.32
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
MAPK14 Q16539 2/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4789979 0.92 HCAR1 (0.40) MAPK8MAPK9MAPK10HCAR1ABL1
SCHEMBL31251321 0.79 FAAH (0.36) MAP3K12ABL1PRMT5WDR77
SCHEMBL20299304 0.77 TYRO3 (0.45) MAP3K12ABL1CDK2CDK7PRMT5
SCHEMBL16993087 0.76 MAPK8 (0.55) MAPK8MAPK9MAPK10CCNA2CDK2
SCHEMBL25302241 0.75 ACACB (0.39) MAPK8MAPK9MAPK10HCAR1
SCHEMBL2011959 0.75 XDH (0.39) MAPK8MAPK9MAPK10HCAR1CCNA2
SCHEMBL29848596 0.75 ACACB (0.39) MAPK8MAPK9MAPK10HCAR1
SCHEMBL25258670 0.75 ACACB (0.39) MAPK8MAPK9MAPK10HCAR1
SCHEMBL30850747 0.74 MAPK8 (0.42) MAPK8MAPK9MAPK10CCNA2CDK2
SCHEMBL3052427 0.73 MAPK8 (0.60) MAPK8MAPK9MAPK10CCNA2CDK2

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 claimed
WO-2007036791-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2007-04-05 WO claimed