SCHEMBL19670526

SCHEMBL19670526

Cc1ccncc1-c1ccc(N)c(N(C(=O)Nc2ccncn2)C2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 17/20 0.41
▸ ABL1 P00519 3/20 0.41

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
SCHEMBL19670239 0.91 MAP4K1 (0.41) MAP4K1ABL1
SCHEMBL19670417 0.90 MAP4K1 (0.42) MAP4K1ABL1
SCHEMBL19670519 0.88 MAP4K1 (0.41) MAP4K1ABL1
SCHEMBL19669975 0.86 MAP4K1 (0.40) MAP4K1ABL1
SCHEMBL19365336 0.86 ATR (0.37) MAP4K1
SCHEMBL19365606 0.86 ATR (0.48) ABL1
SCHEMBL19669952 0.85 POLB (0.41) MAP4K1ABL1
SCHEMBL19669761 0.84 PRMT5 (0.36) MAP4K1ABL1
SCHEMBL19365575 0.83 CHRNB2 (0.36) MAP4K1ABL1
SCHEMBL19670415 0.83 ABL1 (0.46) MAP4K1ABL1

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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