SCHEMBL1744310

SCHEMBL1744310

CNc1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.55
PTPN6 P29350 1/20 0.55
PTPN11 Q06124 1/20 0.55
AURKA O14965 1/20 0.55
ABL1 P00519 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.55
CSF1R P07333 1/20 0.55
RET P07949 1/20 0.55
MET P08581 1/20 0.55
PDGFRB P09619 1/20 0.55
PIM1 P11309 1/20 0.55
PDGFRA P16234 1/20 0.55
FLT3 P36888 1/20 0.55
MAPK8 P45983 1/20 0.55
CDK8 P49336 1/20 0.55
MAP2K1 Q02750 1/20 0.55
MAP4K2 Q12851 1/20 0.55
ROCK1 Q13464 1/20 0.55
NTRK3 Q16288 1/20 0.55

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
SCHEMBL23742279 0.91 PTPN1 (0.50) PTPN1PTPN6PTPN11AURKAABL1
SCHEMBL6673320 0.85 AURKA (0.55) PTPN1PTPN6PTPN11AURKAABL1
SCHEMBL22911701 0.83 PTPN1 (0.42) PTPN1PTPN6PTPN11AURKAABL1
SCHEMBL9057614 0.82 BAZ2B (0.53) PTPN1CYP11B1CYP11B2PTPN2CYP3A4
SCHEMBL3152503 0.81 CCR1 (0.46) PTPN1PTPN6PTPN11AURKAABL1
SCHEMBL14355084 0.81 CYP11B1 (0.45) PTPN1PTPN6PTPN11AURKAABL1
SCHEMBL22678028 0.77 CCR1 (0.56) PTPN1PTPN6PTPN11AURKAABL1
SCHEMBL6161727 0.77 KIF11 (0.58) PTPN1NPC1MEN1KMT2ARAB9A
SCHEMBL2997318 0.76 CCR1 (0.60) PTPN1PTPN6PTPN11AURKAABL1
SCHEMBL4415823 0.75 MET (0.65) PTPN1PTPN6PTPN11AURKAABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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