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Sugi Predict / Compounds / SCHEMBL4416216

SCHEMBL4416216

SCHEMBL4416216

CNC(=O)c1cccc(C(=O)Nc2cnc(C)c(C(=O)Nc3ccc(OCc4ccccn4)cc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.53
▸ SMO Q99835 8/20 0.53
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL5496963 0.91 MAPK14 (0.44) MAPK14SMOMAPTKCNH2
SCHEMBL4415122 0.89 MAPK14 (0.69) MAPK14SMOMAPTLMNA
SCHEMBL4408412 0.83 MAPK14 (0.44) MAPK14SMOMAPTKCNH2
SCHEMBL4408195 0.83 PARP10 (0.48) MAPK14SMOMAPTKCNH2
SCHEMBL5485509 0.83 MAPK14 (0.49) MAPK14SMOMAPTKCNH2
SCHEMBL14534689 0.82 MAPK14 (0.65) MAPK14SMOMAPTLMNA
SCHEMBL5481396 0.82 PARP10 (0.58) MAPK14SMOKCNH2
SCHEMBL5489925 0.82 PARP10 (0.48) MAPK14SMOMAPTKCNH2
SCHEMBL14534669 0.81 MAPK14 (0.44) MAPK14SMOMAPTKCNH2
SCHEMBL14534447 0.80 ALDH1A1 (0.51) MAPK14SMOMAPTKCNH2MEN1

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-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 — — EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 — — WO disclosed