SCHEMBL24678723

SCHEMBL24678723

Clc1c(C#Cc2ncccn2)cnc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.50
AXL P30530 3/20 0.50
CCNK O75909 2/20 0.37
CDK12 Q9NYV4 2/20 0.37
NUDT1 P36639 6/20 0.37
JAK2 O60674 2/20 0.36
PTK2 Q05397 2/20 0.36
AURKB Q96GD4 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 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
SCHEMBL30084214 1.00 PRKCI (0.50) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL24678205 0.85 PRKCI (0.47) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL30084209 0.85 PRKCI (0.47) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL30084261 0.82 AXL (0.50) PRKCIAXLCCNKCDK12JAK2
SCHEMBL24678401 0.82 AXL (0.50) PRKCIAXLCCNKCDK12JAK2
SCHEMBL24678765 0.81 PRKCI (0.43) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL30084234 0.81 PRKCI (0.43) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL24678194 0.81 PRKCI (0.54) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL30084188 0.81 PRKCI (0.54) PRKCIAXLCCNKCDK12NUDT1
SCHEMBL24678409 0.81 PRKCI (0.49) PRKCIAXLCCNKCDK12NUDT1

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