SCHEMBL6118917

SCHEMBL6118917

COc1ccccc1-c1nnc2ccc(-c3ccc(OCc4ccccc4)c(C)c3)cn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
BRD4 O60885 4/20 0.42
TSHR P16473 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
SCN5A Q14524 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
ANO2 Q9NQ90 1/20 0.41
MET P08581 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 2/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL6118858 0.93 MAPK14 (0.52) MAPK14BRD4TSHRKDM4EALDH1A1
SCHEMBL6119004 0.89 MAPK14 (0.55) MAPK14TSHRLMNASCN5AANO1
SCHEMBL6118279 0.88 MAPK14 (0.57) MAPK14TSHRKDM4EALDH1A1HSD17B10
SCHEMBL6118528 0.84 MAPK14 (0.57) MAPK14TSHRKDM4EALDH1A1HSD17B10
SCHEMBL6118060 0.82 MAPK14 (0.58) MAPK14BRD4TSHRKDM4EALDH1A1
SCHEMBL6118440 0.81 MAPK14 (0.57) MAPK14TSHRKDM4EALDH1A1HSD17B10
SCHEMBL6118911 0.81 MAPK14 (0.61) MAPK14TSHRKDM4EALDH1A1HSD17B10
SCHEMBL6118978 0.81 MAPK14 (0.54) MAPK14TSHRKDM4EALDH1A1HSD17B10
SCHEMBL6118405 0.80 MAPK14 (0.56) MAPK14TSHRKDM4EALDH1A1HSD17B10
SCHEMBL6118608 0.79 MAPK14 (0.55) MAPK14TSHRKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065546-A1 3-ARYL-6-ARYL-[1,2,4]TRIAZOLO[4,3-a]PYRIDINES AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2012-05-24 WO claimed
WO-2012065297-A1 3-ARYL-6-ARYL-[1,2,4]TRIAZOLO[4,3-a]PYRIDINES AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2012-05-24 WO claimed
US-9199983-B2 3-aryl-6-aryl-[1,2,4]triazolo[4,3-α]pyridines as inhibitors of cell proliferation and the use thereof CAI SUIXIONG (CN) 2015-12-01 US disclosed
WO-2012065546-A1 3-ARYL-6-ARYL-[1,2,4]TRIAZOLO[4,3-a]PYRIDINES AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2012-05-24 WO disclosed
WO-2012065297-A1 3-ARYL-6-ARYL-[1,2,4]TRIAZOLO[4,3-a]PYRIDINES AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2012-05-24 WO disclosed