SCHEMBL21252193

SCHEMBL21252193

COc1cc(OC)c(F)c(-c2nc(N3CCOCC3)c3cc(N)ncc3n2)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 8/20 0.48
▸ MTOR P42345 6/20 0.48
▸ USP2 O75604 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PIK3CD O00329 2/20 0.45
▸ PIK3R1 P27986 2/20 0.45
▸ PIK3CB P42338 2/20 0.45
▸ PIK3CG P48736 2/20 0.45
▸ PIK3R5 Q8WYR1 2/20 0.45
▸ PDE10A Q9Y233 1/20 0.45
▸ TRPM8 Q7Z2W7 2/20 0.43
▸ GAK O14976 1/20 0.40

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
SCHEMBL20331471 0.88 SMN1; SMN2 (0.51) PIK3CAMTORUSP2CYP1A2CYP3A4
SCHEMBL30045467 0.88 SMN1; SMN2 (0.51) PIK3CAMTORUSP2CYP1A2CYP3A4
SCHEMBL21251923 0.88 SMN1; SMN2 (0.51) PIK3CAMTORUSP2CYP1A2CYP3A4
SCHEMBL21252206 0.87 LRRK2 (0.42) PIK3CAMTORUSP2CYP1A2CYP3A4
SCHEMBL21251933 0.86 GAK (0.39) PIK3CAMTORUSP2CYP1A2CYP3A4
SCHEMBL21251668 0.86 NTSR1 (0.39) PIK3CAMTORHIF1APDE10A
SCHEMBL21252194 0.85 PIK3CA (0.36) PIK3CAMTORUSP2CYP1A2CYP3A4
SCHEMBL21252184 0.84 PIK3CA (0.35) PIK3CAMTORUSP2CYP1A2CYP3A4
SCHEMBL21252489 0.84 KDM4E (0.48) PIK3CAMTORMAPK1HPGDPIK3CD
SCHEMBL21251903 0.84 PDE10A (0.36) PIK3CAMTORHPGDHIF1APIK3CD

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
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