SCHEMBL21237489

SCHEMBL21237489

COC(=O)CCc1cc(C)c2c(N)ncnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 5/20 0.42
▸ RIPK1 Q13546 2/20 0.38
▸ PIK3CD O00329 4/20 0.38
▸ FGFR1 P11362 2/20 0.36
▸ FGFR3 P22607 2/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ LYN P07948 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MET P08581 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
SCHEMBL21237487 0.77 CYP11B1 (0.38) RIPK1L3MBTL1TSHRCYP11B1CYP11B2
SCHEMBL65394 0.77 ACVRL1 (0.50) ACVRL1FGFR1FGFR3
SCHEMBL21237164 0.75 ACVRL1 (0.46) ACVRL1PIK3CDFGFR1FGFR3PLK4
SCHEMBL65572 0.75 ACVRL1 (0.45) ACVRL1PIK3CD
SCHEMBL21237594 0.71 CSNK2A2 (0.40) RIPK1PIK3CDCSNK2A2CSNK2A1
SCHEMBL65573 0.69 ACVRL1 (0.38) ACVRL1RIPK1PIK3CDFGFR1CSNK2A2
SCHEMBL66408 0.69 PIK3CD (0.37) ACVRL1RIPK1PIK3CDCSNK2A2CSNK2A1
SCHEMBL66503 0.68 ALDH1A1 (0.43) ACVRL1PIK3CDKDRALDH1A1
SCHEMBL14537333 0.67 NTRK1 (0.44) PIK3CDFGFR1FGFR3PLK4AURKA
SCHEMBL14531415 0.67 ACVRL1 (0.43) ACVRL1PIK3CDFGFR1FGFR3

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-2019149114-A1 PREPARATION AND USE OF COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT OR COMPOSITION THEREOF 深圳铂立健医药有限公司 2019-08-08 — — WO disclosed
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