Sugi Predict

Sugi Predict / Compounds / SCHEMBL2013859

SCHEMBL2013859

SCHEMBL2013859

OCC(c1ccnc(Cl)n1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ SORD Q00796 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.31

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
SCHEMBL2020154 0.78 MAPK9 (0.34) MAPK9MAPK10
SCHEMBL2012670 0.75 MAPK9 (0.34) MAPK9MAPK10
SCHEMBL15918368 0.75 MAPK9 (0.34) MAPK9MAPK10
SCHEMBL29004177 0.74 MAPK9 (0.35) MAPK9MAPK10SORD
SCHEMBL14835673 0.71 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL13369704 0.71 FFAR2 (0.34) MAPK9MAPK10
SCHEMBL15390969 0.71 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL14488164 0.68 EPHX1 (0.36) MAPK9MAPK10
SCHEMBL2018148 0.66 MAPK9 (0.37) MAPK9MAPK10SORD
SCHEMBL558541 0.65 MAPK9 (0.39) MAPK9MAPK10SORD

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
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 — — EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 — — WO disclosed