SCHEMBL6186210

SCHEMBL6186210

O=C(NCc1ccncc1)C1=CC[CH]C=C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 3/20 0.46
LMNA P02545 3/20 0.46
MMP13 P45452 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 1/20 0.44
CYP3A4 P08684 2/20 0.43
HTT P42858 2/20 0.43
MAPK14 Q16539 2/20 0.43
POLB P06746 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KA5 O75582 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKCG P05129 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL7908140 0.72 CA9 (0.52) SMN1; SMN2GAALMNAALDH1A1MAPT
SCHEMBL1569157 0.71 L3MBTL1 (0.77) HSD17B10SMN1; SMN2GAAMAPK1LMNA
SCHEMBL5501946 0.69 KDM4E (0.51) SMN1; SMN2ALDH1A1CYP3A4POLB
SCHEMBL29783179 0.69 RAB9A (0.73) HSD17B10SMN1; SMN2GAALMNAALDH1A1
SCHEMBL21065527 0.69 HTT (0.68) HSD17B10GAAALDH1A1MAPTHTT
SCHEMBL30828595 0.67 MMP13 (0.88) SMN1; SMN2GAAMAPK1LMNAMMP13
SCHEMBL1161697 0.67 MMP13 (0.82) SMN1; SMN2GAAMAPK1LMNAMMP13
SCHEMBL30437853 0.67 GAA (0.64) HSD17B10SMN1; SMN2GAAMAPK1LMNA
SCHEMBL334662 0.67 GAA (0.64) HSD17B10SMN1; SMN2GAAMAPK1LMNA
SCHEMBL10405358 0.67 ALDH1A1 (0.58) HSD17B10SMN1; SMN2GAAMAPK1LMNA

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-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO disclosed