SCHEMBL21252194

SCHEMBL21252194

COc1cc(OC)c(F)c(-c2nc(N3CCC(C)(OC)CC3)c3cc(N)ncc3n2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.36
▸ MTOR P42345 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ WHR1 P49842 2/20 0.36
▸ MAP4K1 Q92918 1/20 0.34
▸ NTSR1 P30989 6/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ SPIN1 Q9Y657 2/20 0.32
▸ GAK O14976 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
SCHEMBL21252150 0.94 MAP3K12 (0.33) PIK3CAMTORKDM4ESTAT6NPSR1
SCHEMBL21252311 0.90 MAP4K1 (0.33) PIK3CAMTORKDM4ESTAT6NPSR1
SCHEMBL21251799 0.89 PIK3CA (0.36) PIK3CAMTORKDM4ESTAT6NPSR1
SCHEMBL30044646 0.89 PDE9A (0.40) KDM4ESTAT6NPSR1WHR1MAP4K1
SCHEMBL21240381 0.89 PDE9A (0.40) KDM4ESTAT6NPSR1WHR1MAP4K1
SCHEMBL21252193 0.85 PIK3CA (0.48) PIK3CAMTORCYP1A2CYP3A4ALDH1A1
SCHEMBL21251737 0.84 HPGD (0.40) KDM4ESTAT6NPSR1WHR1MAP4K1
SCHEMBL21252007 0.83 PIK3CA (0.36) PIK3CAMTORWHR1MAP4K1GAK
SCHEMBL21251668 0.83 NTSR1 (0.39) PIK3CAMTORKDM4ESTAT6NPSR1
SCHEMBL24488235 0.83 FGFR1 (0.33) PIK3CAMTORKDM4ESTAT6NPSR1

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
EP-3524603-B1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2022-06-08 — — EP disclosed
EP-3524603-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2019-08-14 — — EP disclosed
Send feedback