SCHEMBL1744864

SCHEMBL1744864

CNc1c(C)cc(C)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
IDO1 P14902 1/20 0.40
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
TERT O14746 1/20 0.39
NOS1 P29475 1/20 0.37
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
PRKACA P17612 2/20 0.37
LIMK1 P53667 2/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
ROCK2 O75116 1/20 0.37
FYN P06241 1/20 0.37
PIM1 P11309 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37
AKT1 P31749 1/20 0.37

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
SCHEMBL18563884 0.77 NOS3 (0.41) KDM4ENOS3NOS2TDP1ALDH1A1
SCHEMBL10774397 0.73 KDM4E (0.50) KDM4EIDO1NOS3NOS2TERT
SCHEMBL8344113 0.72 KDM4E (0.54) KDM4EIDO1NOS3NOS2TERT
SCHEMBL1279214 0.72 KDM4E (0.54) KDM4EIDO1NOS3NOS2TERT
SCHEMBL8883011 0.70 KDM4E (0.52) KDM4EIDO1NOS3NOS2TERT
SCHEMBL9388104 0.70 KDM4E (0.44) KDM4EIDO1NOS3NOS2NOS1
SCHEMBL19503881 0.69 KDM4E (0.47) KDM4EIDO1NOS3NOS2NOS1
SCHEMBL14878894 0.69 ALDH1A1 (0.43) KDM4ETDP1ALDH1A1MAPTCYP3A4
SCHEMBL15255166 0.68 KDM4E (0.50) KDM4EIDO1NOS3NOS2TERT
SCHEMBL6217094 0.68 KDM4E (0.50) KDM4EIDO1NOS3NOS2TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 CN claimed
CN-103396398-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-11-20 CN claimed
CN-101495464-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 CN claimed
CN-101405002-A Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-08 CN claimed
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP disclosed
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 CN disclosed
CN-103396398-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-11-20 CN disclosed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP disclosed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US disclosed
CN-101495464-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 CN disclosed
CN-101405002-A Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-08 CN disclosed