Sugi Predict

Sugi Predict / Compounds / SCHEMBL4411102

SCHEMBL4411102

SCHEMBL4411102

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(C(=O)Nc2ccc(OCc3ccnc4ccccc34)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.42
▸ KDR P35968 3/20 0.40
▸ MALT1 Q9UDY8 4/20 0.40
▸ FLT1 P17948 1/20 0.39
▸ OPRL1 P41146 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4410752 0.87 NPC1 (0.46) MAPK14NPC1
SCHEMBL4417279 0.87 MAPT (0.41) MAPK14NPC1KDM4E
SCHEMBL4412446 0.86 KDR (0.41) KDRMALT1FLT1OPRL1
SCHEMBL4408299 0.86 MAPK14 (0.42) MAPK14GSK3A
SCHEMBL4565964 0.85 MAPK14 (0.42) MAPK14NPC1KDM4E
SCHEMBL5489688 0.85 BRAF (0.39) MAPK14NPC1GSK3A
SCHEMBL4410224 0.85 MAPK14 (0.43) MAPK14NPC1
SCHEMBL4413445 0.85 LMNA (0.44) MAPK14NPC1KDM4E
SCHEMBL4420870 0.82 MRGPRX4 (0.43) NPC1KDM4E
SCHEMBL5486377 0.76 MAPK14 (0.44) MAPK14

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 4 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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 — — WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 — — WO disclosed