SCHEMBL24678879

SCHEMBL24678879

Fc1cc(F)cc(C#Cc2cnc3[nH]ccc3c2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.47
PRKCI P41743 2/20 0.47
CSNK1D P48730 2/20 0.36
MAPK14 Q16539 2/20 0.36
AAK1 Q2M2I8 2/20 0.35
RPS6KA3 P51812 2/20 0.35
NUDT1 P36639 3/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
TRPA1 O75762 2/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
MAP3K20 Q9NYL2 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL30084217 1.00 AXL (0.47) AXLPRKCICSNK1DMAPK14AAK1
SCHEMBL24678675 0.88 AXL (0.48) AXLPRKCICSNK1DMAPK14AAK1
SCHEMBL30084219 0.88 AXL (0.48) AXLPRKCICSNK1DMAPK14AAK1
SCHEMBL30084262 0.86 PRKCI (0.49) AXLPRKCICSNK1DMAPK14AAK1
SCHEMBL24678613 0.86 PRKCI (0.49) AXLPRKCICSNK1DMAPK14AAK1
SCHEMBL24678728 0.83 AXL (0.46) AXLPRKCICSNK1DMAPK14AAK1
SCHEMBL30084172 0.83 AXL (0.46) AXLPRKCICSNK1DMAPK14AAK1
SCHEMBL24678159 0.83 AXL (0.46) AXLPRKCICSNK1DMAPK14AAK1
SCHEMBL30084167 0.83 AXL (0.46) AXLPRKCICSNK1DMAPK14AAK1
SCHEMBL24678406 0.82 AXL (0.48) AXLPRKCIAAK1NUDT1MAPK1

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