SCHEMBL24678876

SCHEMBL24678876

O=[N+]([O-])c1ccccc1C#Cc1cnc2[nH]ccc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.43
PRKCI P41743 2/20 0.43
ALDH1A1 P00352 4/20 0.38
MET P08581 1/20 0.36
JAK2 O60674 4/20 0.35
JAK1 P23458 4/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 1/20 0.35
TTBK1 Q5TCY1 3/20 0.34
TTBK2 Q6IQ55 3/20 0.34
PIN1 Q13526 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP9 P14780 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 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
SCHEMBL30084195 1.00 AXL (0.43) AXLPRKCIALDH1A1METJAK2
SCHEMBL24678745 0.81 AXL (0.43) AXLPRKCIJAK2JAK1TYK2
SCHEMBL30084296 0.81 AXL (0.43) AXLPRKCIJAK2JAK1TYK2
SCHEMBL24679180 0.79 AXL (0.39) AXLPRKCIALDH1A1METJAK2
SCHEMBL24678866 0.79 AXL (0.39) AXLPRKCIALDH1A1JAK2JAK1
SCHEMBL30084260 0.79 AXL (0.39) AXLPRKCIALDH1A1METJAK2
SCHEMBL30084257 0.79 AXL (0.39) AXLPRKCIALDH1A1JAK2JAK1
SCHEMBL30084254 0.79 AXL (0.39) AXLPRKCIALDH1A1METJAK2
SCHEMBL1935167 0.79 PRKCI (0.54) AXLPRKCIALDH1A1JAK2JAK1
SCHEMBL29486783 0.79 PRKCI (0.54) AXLPRKCIALDH1A1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022247676-A1 COMPOUND WITH DIPYRROLOPYRIDINE STRUCTURE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 南京康屹生物医药中心(有限合伙) 2022-12-01 WO disclosed
CN-115385911-A Compound with dipyrrolopyridine structure, preparation method and medical application 南京康屹生物医药中心(有限合伙) 2022-11-25 CN disclosed
CN-113292561-A Compound with dipyrrolopyridine structure, preparation method and medical application 中国药科大学 2021-08-24 CN disclosed