SCHEMBL21251928

SCHEMBL21251928

COc1cc(OC)c(Cl)c(-c2nc(N3CCC(C#N)C3)c3cc(N)ncc3n2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAK O14976 1/20 0.38
▸ PDE10A Q9Y233 8/20 0.35
▸ PDE3B Q13370 6/20 0.35
▸ PDE3A Q14432 6/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ STAT6 P42226 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ RICTOR Q6R327 1/20 0.32
▸ RPTOR Q8N122 1/20 0.32
▸ MAPKAP1 Q9BPZ7 1/20 0.32
▸ MLST8 Q9BVC4 1/20 0.32
▸ TTK P33981 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
SCHEMBL29577769 0.91 PDE10A (0.36) GAKPDE10APDE3BPDE3ASMN1; SMN2
SCHEMBL20331744 0.91 PDE10A (0.36) GAKPDE10APDE3BPDE3ASMN1; SMN2
SCHEMBL21252164 0.86 PDE10A (0.42) PDE10APDE3BPDE3A
SCHEMBL21252155 0.85 GAK (0.36) GAKPDE10APDE3BPDE3ALRRK2
SCHEMBL21252209 0.84 NTSR1 (0.40) GAKSMN1; SMN2ALDH1A1KDM4ESTAT6
SCHEMBL21252359 0.84 NTSR1 (0.39) PDE10APDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL21251914 0.83 MAP4K4 (0.40) PDE10APDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL21252502 0.83 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL21252491 0.83 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL24488330 0.82 HTT (0.36) PDE10APDE3BPDE3ASMN1; SMN2ALDH1A1

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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