SCHEMBL1029982

SCHEMBL1029982

S=C(NCc1ccccc1)N1CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 13/20 0.61
PDGFRA P16234 2/20 0.57
KIT P10721 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.52

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 SCHEMBL1031469 0.88 PDGFRB (0.61) PDGFRBPDGFRAKITMEN1KMT2A
SCHEMBL7664440 0.87 MEN1 (0.53) PDGFRBPDGFRAKITMEN1KMT2A
SCHEMBL1032702 0.86 PDGFRB (0.65) PDGFRBPDGFRAKITGAAMAPT
SCHEMBL1029983 0.85 RECQL (0.62) PDGFRBPDGFRAKITMEN1KMT2A
SCHEMBL1028115 0.82 KIT (0.66) PDGFRBPDGFRAKITLMNAGAA
SCHEMBL2912785 0.81 PDGFRB (0.78) PDGFRBPDGFRAKITMEN1KMT2A
SCHEMBL29230275 0.80 PDGFRB (0.62) PDGFRBPDGFRAKITMEN1KMT2A
SCHEMBL30945086 0.80 PDGFRB (0.62) PDGFRBPDGFRAKITMEN1KMT2A
SCHEMBL5849590 0.80 AKT1 (0.53) KITMEN1KMT2AGAAALDH1A1
SCHEMBL7664448 0.78 PDGFRB (0.55) PDGFRBPDGFRAKITMEN1KMT2A

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-1067123-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-01-19 EP disclosed
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP disclosed