SCHEMBL23699581

SCHEMBL23699581

O=C(Nc1ccccc1)c1cc2c(N3CCN(C(=O)O)CC3)ncnc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIT P10721 13/20 0.55
PDGFRB P09619 6/20 0.51
MAPK1 P28482 1/20 0.46

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
SCHEMBL15516007 0.86 KIT (0.70) KITPDGFRB
SCHEMBL23699590 0.83 KIT (0.52) KITPDGFRB
SCHEMBL15665162 0.82 KIT (0.56) KITPDGFRB
SCHEMBL15665163 0.82 KIT (0.72) KIT
SCHEMBL15664356 0.73 KIT (0.80) KITPDGFRB
SCHEMBL15664562 0.71 KIT (1.00) KIT
SCHEMBL5278122 0.71 LMNA (0.67) PDGFRB
SCHEMBL15665145 0.69 KIT (1.00) KITPDGFRB
SCHEMBL29230307 0.68 KIT (0.65) KITPDGFRB
SCHEMBL15663586 0.68 KIT (1.00) KITPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892534-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-08-04 EP claimed