SCHEMBL1744376

SCHEMBL1744376

C[N]c1cccnc1NC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APLNR P35414 1/20 0.33
HTR6 P50406 2/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
SYK P43405 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
FDPS P14324 2/20 0.32
RRM2 P31350 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
GRM5 P41594 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL25681784 0.82 KDM4E (0.35) KDM4ERAB9ANPC1MAPTL3MBTL1
SCHEMBL19719401 0.79 KDM4E (0.35) KDM4ERAB9ANPC1MAPTL3MBTL1
SCHEMBL1746367 0.79 GRM5 (0.41) KDM4ERAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL1744463 0.76 ALDH1A1 (0.53) KDM4ENPC1HTTFDPSGRM5
SCHEMBL1746872 0.74 KDM4E (0.43) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL1744803 0.74 KDM4E (0.41) KDM4EMAPTSYKALDH1A1
SCHEMBL31094891 0.72 PSMD14 (0.42) KDM4ERAB9ANPC1MAPTL3MBTL1
SCHEMBL1746870 0.72 CYP2C19 (0.51) L3MBTL1SYKMEN1GAAKMT2A
SCHEMBL1746375 0.72 UTS2R (0.46) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL1745114 0.72 UTS2R (0.46) KDM4ERAB9ANPC1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP 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