SCHEMBL4789979

SCHEMBL4789979

O=c1ccc2cnc(C3CCOCC3)nc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.40
MAPK8 P45983 3/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
MAPK14 Q16539 2/20 0.35
KDM5B Q9UGL1 1/20 0.34
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 2/20 0.33
MNAT1 P51948 2/20 0.33
MTOR P42345 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
PDE1B Q01064 1/20 0.33
OPRL1 P41146 1/20 0.33
DAO P14920 1/20 0.33
PDE9A O76083 3/20 0.32
ABL1 P00519 4/20 0.32

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
SCHEMBL4724993 0.92 MAPK8 (0.38) HCAR1MAPK8MAPK9MAPK10MAPK14
SCHEMBL3052427 0.78 MAPK8 (0.60) MAPK8MAPK9MAPK10MAPK14CCNA2
SCHEMBL18865844 0.75 TYRO3 (0.47) KDM5BCDK7JAK2JAK1JAK3
SCHEMBL17910173 0.75 RIPK2 (0.47) HCAR1MAPK8MAPK9MAPK10MAPK14
SCHEMBL30556388 0.74 MAPK8 (0.40) MAPK8MAPK9MAPK10CCNA2CDK2
SCHEMBL16993087 0.73 MAPK8 (0.55) MAPK8MAPK9MAPK10MAPK14CCNA2
SCHEMBL30850695 0.73 MAPK8 (0.42) HCAR1MAPK8MAPK9MAPK10MAPK14
SCHEMBL29848596 0.72 ACACB (0.39) HCAR1MAPK8MAPK9MAPK10PDE9A
SCHEMBL2011959 0.72 XDH (0.39) HCAR1MAPK8MAPK9MAPK10CCNA2
SCHEMBL30850747 0.70 MAPK8 (0.42) MAPK8MAPK9MAPK10MAPK14CCNA2

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