SCHEMBL21252340

SCHEMBL21252340

COc1cc(OC)c(F)c(-c2cc3cnc(N)cc3c(N3CCOCC3)n2)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.47
▸ MTOR P42345 4/20 0.47
▸ GAK O14976 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ MAP2K7 O14733 1/20 0.39
▸ TRPM8 Q7Z2W7 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MAP4K1 Q92918 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL21240308 0.88 SMN1; SMN2 (0.47) MTORGAKSMN1; SMN2PDE10ATRPM8
SCHEMBL20331064 0.88 GAK (0.42) MTORGAKSMN1; SMN2PDE10ATRPM8
SCHEMBL21252344 0.88 PIK3CA (0.47) PIK3CAMTORGAKSMN1; SMN2PDE10A
SCHEMBL21252468 0.86 LRRK2 (0.42) PIK3CAMTORGAKPDE10ALRRK2
SCHEMBL21252174 0.86 PIK3CA (0.37) PIK3CAMTOR
SCHEMBL21252007 0.85 PIK3CA (0.36) PIK3CAMTORGAKMAP4K1
SCHEMBL21252008 0.85 GAK (0.37) PIK3CAMTORGAKPIK3R1
SCHEMBL21252220 0.84 PIK3CA (0.33) PIK3CAMTORMAP4K1FGFR4
SCHEMBL21252176 0.84 MTOR (0.39) PIK3CAMTORGAKKDM4EALDH1A1
SCHEMBL21252083 0.83 PDE10A (0.34) PIK3CAMTORPDE10AMAP4K1

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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