SCHEMBL19670415

SCHEMBL19670415

Cc1ccncc1-c1ccc(N)c(N(C(=O)Nc2nc(C)c(C)s2)C2CCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.46
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDGFRA P16234 2/20 0.38
▸ KIT P10721 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAP4K1 Q92918 4/20 0.37
▸ PI4KB Q9UBF8 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
SCHEMBL19365814 0.87 NPC1 (0.41) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19670417 0.83 MAP4K1 (0.42) ABL1MAP4K1
SCHEMBL19669952 0.83 POLB (0.41) ABL1SMN1; SMN2ALDH1A1MAP4K1
SCHEMBL19670378 0.83 RAB9A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL19670636 0.83 RAB9A (0.44) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19670526 0.83 MAP4K1 (0.41) ABL1MAP4K1
SCHEMBL19670239 0.83 MAP4K1 (0.41) ABL1MAP4K1
SCHEMBL19365607 0.82 RAB9A (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL19365329 0.82 RAB9A (0.39) ABL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19669975 0.81 MAP4K1 (0.40) ABL1MAP4K1

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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