Sugi Predict

Sugi Predict / Compounds / SCHEMBL5134337

SCHEMBL5134337

SCHEMBL5134337

C[C@H]1CN(S(=O)(=O)N(C)C)CCN1Cc1ccc[c]c1F.Cc1ccc(NC(=O)Nc2cccc(CN3CCN(C(=O)O)C[C@@H]3C)c2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ MAPK8 P45983 2/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ PIK3R1 P27986 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4239733 0.90 CYP1A2 (0.42) CYP1A2MAPK8MAPK10RORCPIK3R1
SCHEMBL4239738 0.90 CYP1A2 (0.42) CYP1A2MAPK8MAPK10RORCPIK3R1
SCHEMBL4244078 0.90 CYP1A2 (0.42) CYP1A2MAPK8MAPK10RORCPIK3R1
SCHEMBL5014984 0.86 RORC (0.40) MAPK8MAPK10RORCDHODHPIK3R1
SCHEMBL4246553 0.86 RORC (0.40) MAPK8MAPK10RORCDHODHPIK3R1
SCHEMBL5015909 0.86 RORC (0.40) MAPK8MAPK10RORCDHODHPIK3R1
SCHEMBL4235554 0.82 PIK3CA (0.40) MAPK8MAPK10PIK3R1MTORNPSR1
SCHEMBL2250542 0.82 MAPK10 (0.39) MAPK8MAPK10RORCDHODHPIK3R1
SCHEMBL4237715 0.82 MAPK10 (0.39) MAPK8MAPK10RORCDHODHPIK3R1
SCHEMBL4237716 0.82 MAPK10 (0.39) MAPK8MAPK10RORCDHODHPIK3R1

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-1962852-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-09-03 — — EP disclosed
WO-2007078839-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-12 — — WO disclosed