SCHEMBL4606399

SCHEMBL4606399

NCCc1ncc(F)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.50
TAAR1 Q96RJ0 4/20 0.41
HRH1 P35367 3/20 0.35
HRH4 Q9H3N8 3/20 0.35
MAOB P27338 2/20 0.35
HRH2 P25021 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
LMNA P02545 1/20 0.32
MIF P14174 1/20 0.32
TSHR P16473 1/20 0.32
IDO1 P14902 1/20 0.32
APEX1 P27695 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNA7 P36544 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
Hydrochloric Acid SCHEMBL1396035 0.98 APLNR (0.48) APLNRTAAR1HRH1HRH4MAOB
SCHEMBL7769252 0.84 APLNR (0.46) APLNRHRH1HRH4HRH2HRH3
SCHEMBL15269105 0.79
Hydrochloric Acid SCHEMBL21067234 0.77 APLNR (0.42) APLNRMAOBLOXL2
SCHEMBL3934379 0.75 APLNR (0.50) APLNR
SCHEMBL18543778 0.75 HRH4 (0.35) TAAR1HRH1HRH4HRH2HRH3
SCHEMBL19425636 0.75 APLNR (0.50) APLNRSMN1; SMN2
SCHEMBL5935640 0.75 APLNR (0.50) APLNR
SCHEMBL2002429 0.75 TAAR1 (0.41) TAAR1HRH1HRH4HRH2HRH3
SCHEMBL9999635 0.75 HRH4 (0.45) APLNRTAAR1HRH1HRH4HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945631-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-07-23 EP disclosed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP disclosed
WO-2007049041-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-05-03 WO disclosed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 WO disclosed