SCHEMBL7664448

SCHEMBL7664448

Nc1nc(N2CCN(C(=S)NCc3ccccc3)CC2)c2[nH]cnc2n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.55
HRH4 Q9H3N8 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CDK1 P06493 1/20 0.51
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
POLB P06746 2/20 0.46
PIN1 Q13526 1/20 0.46
HTT P42858 1/20 0.45

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 SCHEMBL7662314 0.89 PDGFRB (0.51) PDGFRBHRH4MEN1KMT2ACDK1
SCHEMBL7664440 0.85 MEN1 (0.53) PDGFRBMEN1KMT2AMAPTLMNA
SCHEMBL1029983 0.85 RECQL (0.62) PDGFRBMEN1KMT2AMAPTLMNA
SCHEMBL1029982 0.78 PDGFRB (0.61) PDGFRBMEN1KMT2AMAPTLMNA
SCHEMBL38942 0.76 HRH4 (0.85) PDGFRBHRH4CDK1LMNAHTT
Hydrochloric Acid SCHEMBL7662308 0.74 PDGFRB (0.51) PDGFRBMEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL1031470 0.74 PDGFRB (0.59) PDGFRBHRH4MAPTLMNAKIT
SCHEMBL1032705 0.73 PDGFRB (0.62) PDGFRBHRH4MAPTGAAALDH1A1
SCHEMBL7659416 0.71 PDGFRB (1.00) PDGFRB
SCHEMBL30945086 0.70 PDGFRB (0.62) PDGFRBMEN1KMT2ALMNAGAA

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
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