SCHEMBL6828560

SCHEMBL6828560

N#CCC1C=CN=C(NCCCn2ccnc2)N1c1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.54
ILK Q13418 1/20 0.45
KMT2A Q03164 2/20 0.40
ALOX12 P18054 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATP4A P20648 2/20 0.38

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
SCHEMBL5661911 0.86 QPCT (0.41) QPCTILKKMT2AALOX12HIF1A
SCHEMBL4186367 0.84 ILK (0.37) QPCTILKALDH1A1GAAKDM4E
SCHEMBL4197516 0.82 IRAK4 (0.39) KMT2AGAAPOLBSMN1; SMN2
SCHEMBL4187924 0.82 RAB9A (0.36) KMT2AALDH1A1GAAKDM4EPOLB
SCHEMBL4192273 0.82 MAPK9 (0.39) ILKALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL4197304 0.82 ILK (0.40) ILKKMT2AALDH1A1GAAKDM4E
SCHEMBL4192267 0.82 GAA (0.46) ILKKMT2AALDH1A1GAAKDM4E
Acetonitrile SCHEMBL7707679 0.81 RAB9A (0.35) KMT2AALDH1A1GAAKDM4EPOLB
SCHEMBL4192472 0.81 NPC1 (0.46) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL4194311 0.80 MKNK1 (0.41) KMT2AALDH1A1KDM4EHPGDSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP claimed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO claimed
EP-1450792-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA Applied Research Systems ARS Holding N.V. (AN) 2004-09-01 EP disclosed
WO-2003047570-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-06-12 WO disclosed