SCHEMBL7197973

SCHEMBL7197973

N#Cc1ccc(N2CCN(c3ncnc4cc(OCCN5CCCCC5)ccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 12/20 0.54
HRH3 Q9Y5N1 4/20 0.51
AURKA O14965 1/20 0.48
PRKDC P78527 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SCN7A Q01118 1/20 0.48
HRH1 P35367 1/20 0.47

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
SCHEMBL3366898 0.84 PDGFRB (0.78) PDGFRB
SCHEMBL5907679 0.83 PDGFRB (0.79) PDGFRB
SCHEMBL5032742 0.83 PDGFRB (0.75) PDGFRBAURKA
SCHEMBL3364377 0.83 HRH3 (0.53) PDGFRBHRH3AURKAPRKDCHRH1
SCHEMBL5907702 0.80 PDGFRB (0.77) PDGFRB
SCHEMBL3367321 0.80 PRKDC (0.53) PDGFRBHRH3AURKAPRKDC
SCHEMBL5907743 0.79 PDGFRB (0.78) PDGFRB
SCHEMBL5907734 0.78 PDGFRB (0.77) PDGFRB
SCHEMBL227297 0.76 HRH3 (0.85) HRH3SCN7AHRH1
SCHEMBL7197970 0.76 PDGFRB (0.47) PDGFRBPRKDCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309569-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-05-14 EP disclosed
WO-2002016362-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 WO disclosed