SCHEMBL22169917

SCHEMBL22169917

COc1cc2ncnc(-c3ccc(CP(O)O)cc3)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 4/20 0.54
▸ ENPP1 P22413 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ EGFR P00533 6/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ RET P07949 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ KIF5B P33176 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LCK P06239 2/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CB P42338 1/20 0.45

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
SCHEMBL27112175 0.88 KIT (0.52) KITENPP1MEN1KMT2AMAPK1
SCHEMBL22164766 0.85 KIT (0.57) KITENPP1MEN1KMT2AMAPK1
SCHEMBL22300110 0.83 KIT (0.55) KITENPP1MEN1KMT2AMAPK1
SCHEMBL22164657 0.83 KIT (0.57) KITENPP1MEN1KMT2AMAPK1
SCHEMBL22300111 0.82 KIT (0.56) KITENPP1MEN1KMT2AMAPK1
SCHEMBL6180664 0.81 KIT (0.61) KITENPP1EGFRRETKDR
SCHEMBL22165149 0.80 KIT (0.52) KITENPP1MEN1KMT2AMAPK1
SCHEMBL22300265 0.80 EGFR (0.71) EGFRCLK1ABCG2RETKDR
Hydrochloric Acid SCHEMBL6180673 0.80 EGFR (0.61) KITENPP1EGFRRETKDR
SCHEMBL22299722 0.79 HTT (0.74) MEN1KMT2AMAPK1STAT3SMN1; 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
WO-2020140001-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-07-02 — — WO disclosed
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