SCHEMBL27465664

SCHEMBL27465664

NCc1cccc(-c2n[c]sc2-c2ccnc(F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.47
MAPK14 Q16539 6/20 0.44
PLAU P00749 2/20 0.36
SYK P43405 1/20 0.36
EGFR P00533 1/20 0.35
CTSA P10619 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
KARS1 Q15046 1/20 0.34
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33
FGFR1 P11362 1/20 0.33
CDK8 P49336 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL27876845 0.81 LOXL2 (0.65) LOXL2MAPK14PLAUSYKCTSA
SCHEMBL27481686 0.78 MAPK14 (0.55) LOXL2MAPK14SYK
SCHEMBL27482773 0.70 MAPK14 (0.63) MAPK14
SCHEMBL5813696 0.68 MAPK14 (0.60) MAPK14EGFRMAPK13MAPK12MAPK11
SCHEMBL16675785 0.67 PRKCI (0.64) LOXL2MAPK14CTSAFGFR1CDK8
SCHEMBL3894094 0.67 MAPK14 (0.80) MAPK14EGFRMAPK13MAPK12MAPK11
SCHEMBL2642497 0.67
Hydrochloric Acid SCHEMBL4892257 0.65 LOXL2 (0.96) LOXL2
Hydrochloric Acid SCHEMBL1413435 0.65 LOXL2 (0.96) LOXL2
Hydrochloric Acid SCHEMBL31572026 0.65 LOXL2 (0.96) LOXL2

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
CN-1156471-C 5-pyridyl-1, 3-azole compounds, their preparation and use ����ҩƷ��ҵ��ʽ���� 2004-07-07 CN disclosed
CN-1353710-A 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 CN disclosed