SCHEMBL1028115

SCHEMBL1028115

S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3[nH]cnc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.66
PDGFRA P16234 5/20 0.66
FLT3 P36888 2/20 0.65
PDGFRB P09619 8/20 0.63
KDR P35968 1/20 0.63
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 2/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL1028117 0.87 PDGFRB (0.61) KITPDGFRAFLT3PDGFRBKDR
SCHEMBL1029982 0.82 PDGFRB (0.61) KITPDGFRAPDGFRBALDH1A1LMNA
SCHEMBL1032702 0.80 PDGFRB (0.65) KITPDGFRAFLT3PDGFRBKDR
Amuvatinib SCHEMBL29431554 0.79 KIT (1.00) KITPDGFRAFLT3PDGFRBKDR
Amuvatinib SCHEMBL29351463 0.79 KIT (1.00) KITPDGFRAFLT3PDGFRBKDR
SCHEMBL15384140 0.79 KIT (0.79) KITPDGFRAFLT3PDGFRBKDR
Amuvatinib SCHEMBL93976 0.79 KIT (1.00) KITPDGFRAFLT3PDGFRBKDR
Amuvatinib SCHEMBL29883318 0.79 KIT (1.00) KITPDGFRAFLT3PDGFRBKDR
Amuvatinib SCHEMBL1686091 0.79 KIT (1.00) KITPDGFRAFLT3PDGFRBKDR
SCHEMBL2387430 0.79 PDGFRA (1.00) KITPDGFRAFLT3PDGFRBKDR

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