SCHEMBL735001

SCHEMBL735001

NC(=O)c1cnc(On2nnc3ccccc32)nc1NC1CCC(Cc2ccccc2)(NC(=O)O)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.71
MAPK8 P45983 2/20 0.35
MAPK9 P45984 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL762103 0.85 SYK (0.93) SYKMAPK8MAPK9
SCHEMBL4419290 0.85 SYK (0.84) SYKMAPK8MAPK9
SCHEMBL4419303 0.85 SYK (0.84) SYKMAPK8MAPK9
SCHEMBL761163 0.84 SYK (1.00) SYKMAPK8
SCHEMBL735000 0.83 SYK (0.73) SYKMAPK8MAPK9
SCHEMBL734999 0.83 SYK (0.73) SYKMAPK8MAPK9
SCHEMBL29865420 0.82 SYK (0.74) SYKALDH1A1
SCHEMBL760627 0.82 SYK (0.74) SYKALDH1A1
SCHEMBL914462 0.78 SYK (0.66) SYK
SCHEMBL20348692 0.78 SYK (0.84) SYKMAPK8MAPK9ALDH1A1

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
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed