SCHEMBL25795840

SCHEMBL25795840

CC1Cc2c(ncc(C#N)c2/C=C/N(C)C)N1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.38
▸ GAA P10253 1/20 0.30

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
SCHEMBL25789870 0.75 NNMT (0.55) NNMT
SCHEMBL25424023 0.74 NNMT (0.56) NNMT
SCHEMBL25426347 0.74 NNMT (0.56) NNMT
SCHEMBL25426494 0.74 NNMT (0.47) NNMT
SCHEMBL25924181 0.64 RAF1 (0.34) GAA
SCHEMBL25323587 0.63 GAA (0.36) GAA
SCHEMBL4745297 0.61 SRC (0.51) —
SCHEMBL4745279 0.61 EGFR (0.38) —
SCHEMBL4745298 0.61 SRC (0.51) —
SCHEMBL4745277 0.61 EGFR (0.38) —

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-2023129513-A2 BICYCLIC HETEROAROMATIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, AND COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-07-06 — — WO disclosed
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