SCHEMBL4410129

SCHEMBL4410129

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)NCc3cccnc3)on2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK14 Q16539 3/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
NAMPT P43490 3/20 0.39
BRAF P15056 1/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RECQL P46063 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 2/20 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
SCHEMBL4565792 0.90 MAPT (0.41) MEN1KMT2AMAPK14ALDH1A1MAPT
SCHEMBL14473103 0.90 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4411132 0.87 BRAF (0.38) MEN1KMT2AMAPK14MAPTBRAF
SCHEMBL4411278 0.86 MAPT (0.37) ALDH1A1MAPTNAMPTBRAFNPC1
SCHEMBL4419761 0.86 CYP1A2 (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5593016 0.84 TEK (0.53) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4410028 0.83 MAPT (0.38) MAPK14MAPTBRAFSMN1; SMN2CYP1A2
SCHEMBL4420133 0.83 RAB9A (0.48) KMT2AALDH1A1LMNABRAFTSHR
SCHEMBL4409883 0.82 MAPK14 (0.36) MAPK14ALDH1A1MAPTBRAFSMN1; SMN2
SCHEMBL4414341 0.81 USP30 (0.40) MAPK14NAMPTBRAFNPC1RAB9A

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 3 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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed