SCHEMBL21170816

SCHEMBL21170816

Nc1ncnc2[nH]c(C#CCOc3cc(F)ccc3F)cc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.38
KIT P10721 3/20 0.34
PRMT5 O14744 1/20 0.34
MAP4K4 O95819 7/20 0.33
BRD4 O60885 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SNCA P37840 1/20 0.32

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
SCHEMBL17283021 0.89 EGLN1 (0.41) TRPA1PRMT5MAP4K4BRD4EGLN1
SCHEMBL21170815 0.86 TRPA1 (0.41) TRPA1KITPRMT5MAP4K4BRD4
SCHEMBL21170747 0.82 PRMT5 (0.37) TRPA1PRMT5MAP4K4BRD4EGLN1
SCHEMBL21170737 0.81 KMT2A (0.37) TRPA1PRMT5MAP4K4BRD4EGLN1
SCHEMBL21170731 0.80 EGLN1 (0.41) PRMT5MAP4K4EGLN1
SCHEMBL21170814 0.80 EGLN1 (0.44) PRMT5MAP4K4EGLN1
SCHEMBL17283053 0.80 EGFR (0.38) KITPRMT5MAP4K4EGLN1
SCHEMBL17283044 0.78 MAP4K4 (0.41) PRMT5MAP4K4
SCHEMBL21170711 0.76 EGLN1 (0.39) TRPA1BRD4EGLN1SNCA
SCHEMBL21170685 0.74 TTBK1 (0.38) PRMT5MAP4K4

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
EP-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed