SCHEMBL20331783

SCHEMBL20331783

COCCC1CCN(c2nc(-c3c(C)c(OC)cc(OC)c3Cl)cc3cnc(SC)nc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.33
▸ ENPP1 P22413 5/20 0.33
▸ PDE4B Q07343 3/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ PDE11A Q9HCR9 2/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ RORC P51449 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ SUV39H2 Q9H5I1 2/20 0.30

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
SCHEMBL20331101 0.86 MEN1 (0.36) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL21251736 0.84 TTK (0.35) PDE3B
SCHEMBL21252146 0.83 TTK (0.37) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL20331980 0.82 TTK (0.37) —
SCHEMBL21240427 0.82 SUV39H2 (0.36) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL21240243 0.82 TTK (0.38) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL29578389 0.82 TTK (0.38) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL29578676 0.82 SUV39H2 (0.36) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL20331785 0.81 TTK (0.35) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL21252374 0.81 PDE10A (0.35) PDE4BPDE4APDE4CPDE4DPDE11A

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
WO-2018113584-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2018-06-28 — — WO disclosed
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