SCHEMBL24488203

SCHEMBL24488203

COc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(N3CCC(C)(N)CC3)n2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 19/20 0.39
▸ MAPK3 P27361 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE11A Q9HCR9 1/20 0.33

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
SCHEMBL30045226 0.91 TTK (0.35) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL21240454 0.91 TTK (0.35) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL21240142 0.91 PDE10A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29577848 0.91 PDE10A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21240537 0.88 NOS1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20331789 0.88 NOS1 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29578158 0.88 NOS1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30045100 0.88 NOS1 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21240135 0.88 PDE9A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29577336 0.88 PDE9A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B

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
EP-3524603-B1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2022-06-08 — — EP disclosed
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