SCHEMBL2228423

SCHEMBL2228423

CCc1ccnc(Nc2cccc(-c3cnc(CCc4ccc(C#N)cc4)o3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.37
HSD11B1 P28845 1/20 0.34
ROS1 P08922 1/20 0.33
ALK Q9UM73 1/20 0.33
GRM5 P41594 1/20 0.33
FAAH O00519 1/20 0.33
CES1 P23141 1/20 0.33
MAP3K12 Q12852 1/20 0.33
CYP2A6 P11509 1/20 0.33
RIOK2 Q9BVS4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2228451 0.91 KARS1 (0.47) KARS1
SCHEMBL2227526 0.79 KARS1 (0.54) KARS1FAAHCES1
SCHEMBL14673481 0.73 KARS1 (0.49) KARS1
SCHEMBL14673942 0.73 KARS1 (0.52) KARS1KDM4EALDH1A1HPGD
SCHEMBL2225152 0.70 KARS1 (0.46) KARS1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2225156 0.70 KARS1 (0.46) KARS1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2227694 0.69 KARS1 (0.41) KARS1MAP3K12
SCHEMBL14673910 0.64 KARS1 (0.40) KARS1MAP3K12
SCHEMBL2227009 0.64 KARS1 (0.58) KARS1
SCHEMBL2227056 0.64 KARS1 (0.58) KARS1

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-2523952-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB Science (FR) 2012-11-21 EP claimed
WO-2011086085-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2011-07-21 WO claimed