SCHEMBL2016414

SCHEMBL2016414

CC(=O)c1n[nH]c2cc[c]cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
YTHDC1 Q96MU7 1/20 0.41
STAT3 P40763 1/20 0.41
HIF1A Q16665 1/20 0.41
FLT3 P36888 5/20 0.36
CDK2 P24941 2/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
PRKAG1 P54619 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2013950 0.88 KDM4E (0.41) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL2466267 0.83 JAK2 (0.39) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL3361555 0.83 KDM4E (0.38) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL4794655 0.79 KDM4E (0.66) KDM4ESTAT3HIF1AMAPTALDH1A1
SCHEMBL29781840 0.75 KDM4E (0.67) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL1694765 0.73 CYP1A2 (0.43) KDM4EALDH1A1IDO1
SCHEMBL1195920 0.73 PDPK1 (0.32) KDM4EALDH1A1IDO1
SCHEMBL20505137 0.72 PRKAG1 (0.42) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL478887 0.72 PDPK1 (0.54) KDM4E
SCHEMBL2466230 0.71 JAK2 (0.42) KDM4EYTHDC1STAT3HIF1AFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP claimed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO claimed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed