SCHEMBL4040342

SCHEMBL4040342

CN(C)CCCOc1ccc2c(c1)Cc1c-2n[nH]c1Nc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
PLK1 P53350 2/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHEK1 O14757 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 3/20 0.36
HRH1 P35367 2/20 0.36
KCNH2 Q12809 2/20 0.36
PDGFRB P09619 2/20 0.36
KCNA5 P22460 1/20 0.36
BRAF P15056 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4048246 0.89 PDGFRB (0.39) CHEK1MEN1KMT2ACYP2D6PDGFRB
SCHEMBL4045291 0.86 HRH3 (0.43) HRH3PLK1CHEK1MEN1KMT2A
SCHEMBL4043029 0.84 HRH3 (0.45) HRH3CHEK1MEN1KMT2APDGFRB
SCHEMBL4050263 0.84 PDGFRB (0.51) CHEK1MEN1KMT2APDGFRBKIT
SCHEMBL4045066 0.83 PDGFRB (0.44) HRH3PLK1CHEK1MEN1KMT2A
SCHEMBL4047919 0.82 HRH3 (0.43) HRH3PLK1CHEK1MEN1KMT2A
SCHEMBL4046728 0.82 SGMS2 (0.36) PLK1CHRNB2CHRNA4CHEK1PDGFRB
SCHEMBL4211398 0.79 HRH3 (0.43) HRH3PLK1CHEK1MEN1KMT2A
SCHEMBL4043059 0.79 CHEK1 (0.45) HRH3PLK1CHEK1MEN1KMT2A
SCHEMBL4047622 0.78 PDGFRB (0.49) HRH3CHEK1MEN1KMT2APDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
CN-100396670-C N-substituted 3-aminobenzene-pyrazoles as PDFG receptor inhibitors, pharmaceutical compositions and uses JANSSEN PHARMACEUTICA NV (BE) 2008-06-25 CN disclosed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed