SCHEMBL13044530

SCHEMBL13044530

CC(C)c1nn2ccccc2c1-c1ccnc(NC2CCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.59
MAPK9 P45984 3/20 0.59
MAPK10 P53779 1/20 0.59
PDE10A Q9Y233 1/20 0.59
CDK4 P11802 8/20 0.53
CCND1 P24385 5/20 0.53
CCND3 P30281 3/20 0.53
CDK6 Q00534 3/20 0.53
KDR P35968 2/20 0.47
CDK1 P06493 5/20 0.47
CCNB1 P14635 5/20 0.47
CDK2 P24941 5/20 0.47
CCNA2 P20248 4/20 0.47
CCNA1 P78396 4/20 0.47
CCNE1 P24864 1/20 0.47
PDE5A O76074 4/20 0.47
PDE3A Q14432 3/20 0.46
MAPK8 P45983 3/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5430843 0.98 MAPK9 (0.59) PDE4BMAPK9MAPK10PDE10ACDK4
SCHEMBL3205166 0.96 PDE4B (0.59) PDE4BMAPK9MAPK10PDE10ACDK4
SCHEMBL5426757 0.85 MAPK9 (0.52) PDE4BMAPK9MAPK10PDE10ACDK4
SCHEMBL3195011 0.85 PDE4B (0.69) PDE4BMAPK9MAPK10PDE10ACDK4
SCHEMBL13042835 0.83 PDE4B (0.55) PDE4BMAPK9MAPK10PDE10ACDK4
SCHEMBL5426190 0.83 MAPK9 (0.56) PDE4BMAPK9MAPK10PDE10ACDK4
SCHEMBL5209413 0.83 MAPK9 (0.55) PDE4BMAPK9MAPK10PDE10ACDK4
SCHEMBL5439220 0.82 MAPK9 (0.56) PDE4BMAPK9MAPK10PDE10ACDK4
SCHEMBL5439136 0.81 MAPK9 (0.74) PDE4BMAPK9MAPK10PDE10ACDK4
SCHEMBL5421761 0.80 CDK4 (0.50) PDE4BMAPK9MAPK10PDE10ACDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010144416-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIDINE COMPOUNDS HAVING MULTI-TARGET ACTIVITY GAETA FEDERICO C A (US) 2010-12-16 WO disclosed