SCHEMBL24678745

SCHEMBL24678745

O=[N+]([O-])c1ccc(C#Cc2cnc3[nH]ccc3c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.43
PRKCI P41743 2/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TTBK1 Q5TCY1 2/20 0.41
TTBK2 Q6IQ55 2/20 0.41
ADK P55263 1/20 0.38
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
HSP90AA1 P07900 1/20 0.36
AGTR1 P30556 1/20 0.36
JAK2 O60674 4/20 0.36
JAK1 P23458 3/20 0.36
JAK3 P52333 2/20 0.36

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
SCHEMBL30084296 1.00 AXL (0.43) AXLPRKCICASP3SENP8SENP7
SCHEMBL30084254 0.86 AXL (0.39) AXLPRKCIMEN1KMT2ARAB9A
SCHEMBL30084260 0.86 AXL (0.39) AXLPRKCIMEN1KMT2ARAB9A
SCHEMBL24679180 0.86 AXL (0.39) AXLPRKCIMEN1KMT2ARAB9A
SCHEMBL24678122 0.81 AXL (0.48) AXLPRKCITTBK1TTBK2JAK2
SCHEMBL24678652 0.81 AXL (0.48) AXLPRKCITTBK1TTBK2ADK
SCHEMBL24678393 0.81 AXL (0.55) AXLPRKCITTBK1TTBK2ADK
SCHEMBL24678675 0.81 AXL (0.48) AXLPRKCITTBK1TTBK2AAK1
SCHEMBL24678406 0.81 AXL (0.48) AXLPRKCITTBK1TTBK2DYRK1A
SCHEMBL30084241 0.81 AXL (0.48) AXLPRKCITTBK1TTBK2JAK2

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