SCHEMBL21170731

SCHEMBL21170731

Nc1ncnc2[nH]c(C#CCOc3ccccc3Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.41
PRMT5 O14744 1/20 0.39
MAP4K4 O95819 2/20 0.37
EGFR P00533 4/20 0.35
ERBB2 P04626 2/20 0.35
RAB9A P51151 2/20 0.34
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DOT1L Q8TEK3 1/20 0.33
TTBK1 Q5TCY1 1/20 0.33
TTBK2 Q6IQ55 1/20 0.33
DCPS Q96C86 1/20 0.33
HTT P42858 1/20 0.33
METAP2 P50579 1/20 0.33
KDR P35968 1/20 0.32
KCNH2 Q12809 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 0.86 EGLN1 (0.41) EGLN1PRMT5MAP4K4EGFRERBB2
SCHEMBL17283044 0.84 MAP4K4 (0.41) PRMT5MAP4K4EGFRRAB9ANPC1
SCHEMBL21170814 0.83 EGLN1 (0.44) EGLN1PRMT5MAP4K4EGFRERBB2
SCHEMBL17283053 0.83 EGFR (0.38) EGLN1PRMT5MAP4K4EGFRERBB2
SCHEMBL21170815 0.82 TRPA1 (0.41) EGLN1PRMT5MAP4K4MAPTKMT2A
SCHEMBL21170816 0.80 TRPA1 (0.38) EGLN1PRMT5MAP4K4
SCHEMBL21170747 0.79 PRMT5 (0.37) EGLN1PRMT5MAP4K4
SCHEMBL21170737 0.77 KMT2A (0.37) EGLN1PRMT5MAP4K4EGFRERBB2
SCHEMBL21170685 0.77 TTBK1 (0.38) PRMT5MAP4K4MAPTTTBK1TTBK2
SCHEMBL21170732 0.72 PRMT5 (0.46) PRMT5MAP4K4EGFRMAPT

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