SCHEMBL24851328

SCHEMBL24851328

c1cncc(Cn2ncc3cnc(Nc4nc(N5CCCC5)cc(N5CCNCC5)n4)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.46
▸ CASP4 P49662 1/20 0.46
▸ CASP5 P51878 1/20 0.46
▸ CDK4 P11802 7/20 0.40
▸ PIM1 P11309 7/20 0.40
▸ PIM3 Q86V86 7/20 0.40
▸ PIM2 Q9P1W9 7/20 0.40
▸ ROCK1 Q13464 1/20 0.39
▸ CDK6 Q00534 6/20 0.39
▸ NMT1 P30419 2/20 0.38
▸ KARS1 Q15046 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37

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
SCHEMBL30161962 1.00 CASP1 (0.46) CASP1CASP4CASP5CDK4PIM1
SCHEMBL24851850 0.91 CDK4 (0.41) CASP1CASP4CASP5CDK4PIM1
SCHEMBL30162131 0.91 CDK4 (0.41) CASP1CASP4CASP5CDK4PIM1
SCHEMBL30162034 0.81 CASP1 (0.39) CASP1CASP4CASP5EGFRERBB2
SCHEMBL24852015 0.81 CASP1 (0.39) CASP1CASP4CASP5EGFRERBB2
SCHEMBL24851285 0.80 PIM1 (0.45) CASP1CASP4CASP5PIM1PIM3
SCHEMBL30161933 0.79 CDK4 (0.45) CASP1CASP4CASP5CDK4PIM1
SCHEMBL24851155 0.79 CDK4 (0.45) CASP1CASP4CASP5CDK4PIM1
SCHEMBL24851179 0.78 CDK4 (0.49) CASP1CASP4CASP5CDK4PIM1
SCHEMBL30162044 0.78 CDK4 (0.49) CASP1CASP4CASP5CDK4PIM1

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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