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Sugi Predict / Compounds / SCHEMBL1233299

SCHEMBL1233299

SCHEMBL1233299

Cc1nnc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCC(O)CC3)c2)[nH]1.Cc1nnc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCC(O)CC3)c2)o1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.85
▸ RAF1 P04049 3/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL1233328 0.92 MAPK14 (1.00) MAPK14RAF1NTRK1HTR1BCYP1A2
SCHEMBL1233181 0.91 MAPK14 (0.69) MAPK14RAF1NTRK1HTR1BCYP1A2
SCHEMBL2073600 0.83 MAPK14 (0.81) MAPK14RAF1NTRK1HTR1BCYP1A2
SCHEMBL1234258 0.82 MAPK14 (1.00) MAPK14RAF1NTRK1HTR1BCYP1A2
SCHEMBL1233406 0.81 MAPK14 (0.69) MAPK14RAF1NTRK1HTR1BCYP1A2
SCHEMBL1233180 0.81 MAPK14 (0.66) MAPK14RAF1NTRK1HTR1BCYP1A2
SCHEMBL2076446 0.81 MAPK14 (0.74) MAPK14RAF1NTRK1HTR1B
SCHEMBL2074268 0.80 MAPK14 (1.00) MAPK14RAF1NTRK1HTR1B
SCHEMBL1233814 0.79 MAPK14 (0.68) MAPK14RAF1NTRK1HTR1B
SCHEMBL1233370 0.78 MAPK14 (0.64) MAPK14RAF1NTRK1HTR1B

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-2280943-A1 NEW SUBSTITUTED SPIROÝCYCLOALKYL-1,3'-INDOL¨-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. Almirall, S.A. (ES) 2011-02-09 — — EP disclosed
WO-2009124692-A1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. ALMIRALL, S.A. (ES) 2009-10-15 — — WO disclosed