SCHEMBL1744803

SCHEMBL1744803

C[N]c1cccnc1NCCN

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRKCH P24723 2/20 0.41
PRKCE Q02156 2/20 0.41
SYK P43405 7/20 0.40
FERMT2 Q96AC1 4/20 0.37
PRKCI P41743 1/20 0.36
MAPT P10636 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL1744463 0.85 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10TLR8
SCHEMBL1746872 0.83 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL13660645 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10PRKCH
SCHEMBL1746367 0.81 GRM5 (0.41) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL1746375 0.81 UTS2R (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1746870 0.81 CYP2C19 (0.51) HSD17B10SYK
SCHEMBL1745114 0.81 UTS2R (0.46) KDM4EALDH1A1HSD17B10TLR7CYP1A2
SCHEMBL8345840 0.77 L3MBTL1 (0.50) KDM4EALDH1A1HPGDHSD17B10PRKCH
SCHEMBL7360763 0.75 PRKCH (0.48) KDM4EALDH1A1HPGDHSD17B10PRKCH
SCHEMBL1744805 0.75 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10PRKCH

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