SCHEMBL21170815

SCHEMBL21170815

Nc1ncnc2[nH]c(C#CCOc3cccc(F)c3F)cc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
PRMT5 O14744 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
MAP4K4 O95819 5/20 0.33
BRD4 O60885 1/20 0.33
KIT P10721 3/20 0.32
KMT2A Q03164 1/20 0.32
SNCA P37840 1/20 0.32
GRM5 P41594 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
METAP2 P50579 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL17283021 0.92 EGLN1 (0.41) TRPA1PRMT5EGLN1MAP4K4BRD4
SCHEMBL21170747 0.89 PRMT5 (0.37) TRPA1PRMT5EGLN1MAP4K4BRD4
SCHEMBL21170737 0.89 KMT2A (0.37) TRPA1PRMT5EGLN1MAP4K4BRD4
SCHEMBL21170816 0.86 TRPA1 (0.38) TRPA1PRMT5EGLN1MAP4K4BRD4
SCHEMBL21170731 0.82 EGLN1 (0.41) PRMT5EGLN1MAP4K4KMT2AMAPT
SCHEMBL21170814 0.82 EGLN1 (0.44) PRMT5EGLN1MAP4K4
SCHEMBL17283053 0.82 EGFR (0.38) PRMT5EGLN1MAP4K4KIT
SCHEMBL17283044 0.81 MAP4K4 (0.41) PRMT5MAP4K4SMN1; SMN2
SCHEMBL21170685 0.78 TTBK1 (0.38) PRMT5MAP4K4MAPTLRRK2
SCHEMBL17283090 0.78 MAP4K4 (0.38) TRPA1EGLN1MAP4K4MAPTSMN1; SMN2

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