SCHEMBL2299779

SCHEMBL2299779

CC(=O)c1ccnc(NC2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
PRKD1 Q15139 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
PIP5K1C O60331 1/20 0.47
CCNE1 P24864 5/20 0.46
CDK2 P24941 5/20 0.46
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FYN P06241 1/20 0.43
MAPK1 P28482 2/20 0.43
MAPK3 P27361 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
SCHEMBL31330409 0.86 LRRK2 (0.51) PRMT5WDR77PRKD1PRKD2PIP5K1C
SCHEMBL828268 0.78 ALDH1A1 (0.71) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL24473804 0.76 HCAR3 (0.61) PRMT5NOS3NOS1NOS2KDM4E
SCHEMBL20449771 0.75 MAPK1 (0.53) PRKD1PRKD2CDK2NOS1NOS2
SCHEMBL15229217 0.75 MAPK10 (0.50) PRKD1PRKD2KDM4EALDH1A1L3MBTL1
SCHEMBL29487164 0.75 MAPK10 (0.50) PRKD1PRKD2KDM4EALDH1A1L3MBTL1
SCHEMBL21297272 0.74 MAPK14 (0.52) PRKD1PRKD2CDK2KDM4EALDH1A1
SCHEMBL18466034 0.74 MAPK1 (0.51) PRKD1PRKD2PIP5K1CKDM4EALDH1A1
SCHEMBL17072681 0.74 KDM4E (0.47) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL1579180 0.74 KDM4E (0.47) PRKD1PRKD2PIP5K1CKDM4EALDH1A1

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-2011100769-A2 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2011-08-18 WO disclosed