SCHEMBL24678765

SCHEMBL24678765

Fc1cccnc1C#Cc1cnc2[nH]ccc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.43
AXL P30530 3/20 0.43
NUDT1 P36639 5/20 0.37
CCNK O75909 3/20 0.36
CDK12 Q9NYV4 3/20 0.36
TRPA1 O75762 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
PTK2 Q05397 2/20 0.33
CSNK1D P48730 1/20 0.32
MAPK14 Q16539 1/20 0.32
GRM5 P41594 1/20 0.32
LRRK2 Q5S007 2/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
CSF1R P07333 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
SCHEMBL30084234 1.00 PRKCI (0.43) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL24678194 0.85 PRKCI (0.54) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL30084188 0.85 PRKCI (0.54) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL30084285 0.84 PRKCI (0.41) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL24678651 0.84 PRKCI (0.41) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL24678163 0.84 PRKCI (0.48) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL30084255 0.84 PRKCI (0.48) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL24678196 0.84 PRKCI (0.43) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL30084265 0.84 PRKCI (0.43) PRKCIAXLNUDT1CCNKCDK12
SCHEMBL24678723 0.81 PRKCI (0.50) PRKCIAXLNUDT1CCNKCDK12

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