SCHEMBL24678628

SCHEMBL24678628

Nc1cccc(C#Cc2cnc3[nH]ccc3c2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.43
PRKCI P41743 2/20 0.43
PIK3CA P42336 2/20 0.40
MTOR P42345 1/20 0.40
PDK1 Q15118 1/20 0.40
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
AAK1 Q2M2I8 5/20 0.39
NTRK1 P04629 3/20 0.38
KIT P10721 2/20 0.38
ASIC3 Q9UHC3 1/20 0.36
MAP3K14 Q99558 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
RPS6KB1 P23443 1/20 0.36
NUDT1 P36639 1/20 0.35

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
SCHEMBL30084267 1.00 AXL (0.43) AXLPRKCIPIK3CAMTORPDK1
SCHEMBL30084238 0.85 AXL (0.43) AXLPRKCITTBK1TTBK2AAK1
SCHEMBL30084183 0.85 AXL (0.50) AXLPRKCITTBK1TTBK2AAK1
SCHEMBL24678679 0.85 AXL (0.43) AXLPRKCITTBK1TTBK2AAK1
SCHEMBL24678169 0.85 AXL (0.50) AXLPRKCITTBK1TTBK2AAK1
SCHEMBL24678652 0.84 AXL (0.48) AXLPRKCIPIK3CAMTORPDK1
SCHEMBL30084243 0.84 AXL (0.48) AXLPRKCIPIK3CAMTORPDK1
SCHEMBL24678401 0.84 AXL (0.50) AXLPRKCITTBK1TTBK2AAK1
SCHEMBL30084261 0.84 AXL (0.50) AXLPRKCITTBK1TTBK2AAK1
SCHEMBL24678141 0.82 PTGDR2 (0.42) AXLPRKCITTBK1AAK1

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 1 patent. 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