SCHEMBL6929720

SCHEMBL6929720

O=C(Nc1n[nH]c2cc(Nc3ccccc3Cl)ccc12)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.53
MAPK10 P53779 8/20 0.53
MAPK14 Q16539 8/20 0.53
MAPK1 P28482 1/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KMT2A Q03164 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6928890 0.83 MAPK8 (0.55) MAPK8MAPK10MAPK14HDAC6GSK3A
SCHEMBL1461477 0.82 GSK3B (0.56) MAPK1RAB9ANPC1CASP3SENP8
SCHEMBL6925889 0.80 MAPK8 (0.70) MAPK8MAPK10MAPK14HDAC6
SCHEMBL6928888 0.79 GSK3A (0.64) MAPK8MAPK10MAPK14CDK2GSK3A
SCHEMBL17039074 0.78 MAPK1 (0.53) MAPK1RAB9ANPC1KMT2AMAPT
SCHEMBL6924018 0.78 MAPK8 (0.56) MAPK8MAPK10MAPK14HDAC6
SCHEMBL4494227 0.78 HDAC6 (0.65) MAPK1HDAC6CDK2GSK3A
SCHEMBL6931060 0.78 MAPK8 (0.55) MAPK8MAPK10MAPK14MAPK1KMT2A
SCHEMBL7134630 0.77 ULK1 (0.58) MAPK8MAPK10MAPK14MAPK1CDK2
SCHEMBL4495224 0.76 HDAC6 (0.67) KMT2AHDAC6ALDH1A1MEN1HPGD

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
WO-2004113303-A1 INDAZOLE/PYRZOLO[4,3-c]PYRIDIN DERIVATIVES AS JNK INHIBITORS, COMPOSITIONS AND METHODS RELATED THERETO AS WELL AS INTERMEDIATE THEREOF ASTRAZENECA AB (SE) 2004-12-29 WO claimed
WO-2004113303-A1 INDAZOLE/PYRZOLO[4,3-c]PYRIDIN DERIVATIVES AS JNK INHIBITORS, COMPOSITIONS AND METHODS RELATED THERETO AS WELL AS INTERMEDIATE THEREOF ASTRAZENECA AB (SE) 2004-12-29 WO disclosed