SCHEMBL4563285

SCHEMBL4563285

NC(=O)C1CC(c2cccnc2)=NO1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
POLB P06746 3/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK10 P53779 2/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL3988687 0.93 KDM4E (0.57) KDM4EPOLBGAAALDH1A1MEN1
SCHEMBL3984472 0.91 KDM4E (0.55) KDM4EPOLBGAAALDH1A1MEN1
SCHEMBL2704044 0.88 POLB (0.62) KDM4EPOLBGAAALDH1A1MEN1
SCHEMBL4797827 0.87 KDM4E (0.53) KDM4EPOLBGAAALDH1A1MEN1
SCHEMBL4797816 0.87 KDM4E (0.53) KDM4EPOLBGAAALDH1A1MEN1
SCHEMBL7892245 0.87 KDM4E (0.59) KDM4EPOLBGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL4799421 0.86 KDM4E (0.58) KDM4EPOLBGAAALDH1A1MEN1
SCHEMBL4797829 0.85 KDM4E (0.51) KDM4EPOLBGAAALDH1A1MEN1
SCHEMBL4797824 0.85 KDM4E (0.51) KDM4EPOLBGAAALDH1A1MEN1
SCHEMBL4799736 0.83 MIF (0.64) KDM4EPOLBGAAALDH1A1MEN1

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-2124943-A1 PYRAZOLO [3, 4-B]PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 EP disclosed
WO-2008111009-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 WO disclosed