SCHEMBL30162034

SCHEMBL30162034

COCCNC(=O)N1CCN(c2cc(N3CCCC3)nc(Nc3cc4c(cn3)cnn4Cc3cccnc3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ CASP5 P51878 1/20 0.39
▸ RET P07949 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MAPK1 P28482 5/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FGFR4 P22455 2/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ JAK3 P52333 1/20 0.33
▸ PIK3CD O00329 1/20 0.33

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
SCHEMBL24852015 1.00 CASP1 (0.39) CASP1CASP4CASP5RETDRD2
SCHEMBL24852386 0.93 CHRM2 (0.38) RETDRD2DRD3MAPK1EGFR
SCHEMBL30162175 0.93 CHRM2 (0.38) RETDRD2DRD3MAPK1EGFR
SCHEMBL30162461 0.83 RET (0.36) RETDRD2DRD3MAPK1
SCHEMBL24852382 0.83 RET (0.36) RETDRD2DRD3MAPK1
SCHEMBL24851492 0.83 RET (0.35) CASP1CASP4CASP5RETDRD2
SCHEMBL30162176 0.83 RET (0.35) CASP1CASP4CASP5RETDRD2
SCHEMBL24852372 0.82 MAPK1 (0.39) RETDRD2DRD3MAPK1
SCHEMBL24851484 0.81 RET (0.37) RETDRD2DRD3MAPK1
SCHEMBL24851357 0.81 RET (0.37) RETDRD2DRD3MAPK1

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-2023278483-A1 COMPOUNDS HAVING 1H-PYRAZOLO[4,3-C]PYRIDIN-6-AMINOS AS THERAPEUTIC AGENTS LOMOND THERAPEUTICS, INC. (US) 2023-01-05 — — WO disclosed
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