SCHEMBL22089989

SCHEMBL22089989

COc1cnc(Nc2c(C)cccc2[N+](=O)[O-])nc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ FGFR1 P11362 2/20 0.38
▸ FGFR3 P22607 2/20 0.38
▸ PLK1 P53350 2/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ LCK P06239 2/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ DCLK1 O15075 1/20 0.36

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
SCHEMBL22089634 0.86 MAPK1 (0.45) PTK2MAPK1ALDH1A1EGFRERBB2
SCHEMBL22090032 0.85 KCNMA1 (0.44) ALDH1A1KMT2AL3MBTL1MEN1TDP1
SCHEMBL18134016 0.75 TSHR (0.47) ALDH1A1KMT2AL3MBTL1MEN1TDP1
SCHEMBL18131690 0.73 FGFR4 (0.50) PTK2MAPK1ALDH1A1FGFR1FGFR3
SCHEMBL15412383 0.73 TSHR (0.45) ALDH1A1EGFRKMT2AL3MBTL1MEN1
SCHEMBL18131712 0.73 TSHR (0.45) ALDH1A1KMT2AL3MBTL1MEN1TDP1
SCHEMBL30466489 0.73 TSHR (0.45) ALDH1A1KMT2AL3MBTL1MEN1TDP1
SCHEMBL15413220 0.73 FGFR4 (0.63) FGFR1FGFR3FGFR2FGFR4KMT2A
SCHEMBL15413168 0.72 FGFR4 (0.60) MAPK1ALDH1A1FGFR1FGFR4KMT2A
SCHEMBL21386640 0.72 SMN1; SMN2 (0.50) ALDH1A1KMT2AL3MBTL1MEN1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020119606-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-18 — — WO disclosed
WO-2020119606-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-18 — — WO disclosed
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