SCHEMBL13546240

SCHEMBL13546240

Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.63
KCNQ2 O43526 2/20 0.63
MAPK14 Q16539 1/20 0.57
RAB9A P51151 9/20 0.57
NPC1 O15118 7/20 0.57
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
GFER P55789 1/20 0.53
FKBP5 Q13451 1/20 0.52
KCNE1 P15382 1/20 0.52
KCNQ1 P51787 1/20 0.52
MEN1 O00255 2/20 0.51
TP53 P04637 1/20 0.51
CSF1R P07333 1/20 0.51

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
SCHEMBL3404793 0.88 MAPK14 (0.54) KCNQ3KCNQ2MAPK14RAB9ANPC1
SCHEMBL31524100 0.83 MAPT (0.60) MAPK14RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL4827723 0.83 MAPT (0.60) MAPK14RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL259371 0.82 KMT2A (0.66) RAB9ANPC1KMT2ASMN1; SMN2POLB
SCHEMBL4704265 0.81 MAPK14 (0.70) KCNQ3KCNQ2MAPK14
SCHEMBL12764158 0.80 RAB9A (0.68) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL5897217 0.80 LMNA (0.55) KCNQ3KCNQ2RAB9ANPC1KMT2A
SCHEMBL2303285 0.80 KCNQ3 (0.80) KCNQ3KCNQ2RAB9ANPC1KMT2A
SCHEMBL25984187 0.80 MAPK14 (0.60) KCNQ3KCNQ2MAPK14SMARCA2SMARCA4
SCHEMBL4704601 0.80 MAPK14 (0.68) KCNQ3KCNQ2MAPK14

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
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed