SCHEMBL5603582

SCHEMBL5603582

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)C#Cc3ccccc3)on2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
BRAF P15056 4/20 0.34
RAF1 P04049 2/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL4410028 0.87 MAPT (0.38) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4409883 0.84 MAPK14 (0.36) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4411132 0.84 BRAF (0.38) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4565792 0.81 MAPT (0.41) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4410261 0.81 NPC1 (0.39) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4411278 0.80 MAPT (0.37) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL4410129 0.80 MEN1 (0.44) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL14473174 0.80 RAF1 (0.36) MAPK14MAPTBRAFRAF1LRRK2
SCHEMBL4408296 0.80 RAF1 (0.36) MAPK14MAPTBRAFRAF1LRRK2
SCHEMBL4412696 0.80 USP30 (0.40) MAPTBRAFRAF1

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