SCHEMBL21251736

SCHEMBL21251736

COc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(N3CCC(OC)C3)n2)c1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.35
▸ PDE10A Q9Y233 11/20 0.34
▸ PDE3B Q13370 8/20 0.34
▸ PDE3A Q14432 8/20 0.34
▸ NEK2 P51955 4/20 0.31
▸ TP53 P04637 1/20 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
SCHEMBL20331964 0.95 PDE10A (0.36) TTKPDE10APDE3BPDE3ANEK2
SCHEMBL29578107 0.95 PDE10A (0.36) TTKPDE10APDE3BPDE3ANEK2
SCHEMBL29578336 0.90 TTK (0.37) TTKPDE10APDE3BPDE3ATP53
SCHEMBL21240312 0.90 TTK (0.37) TTKPDE10APDE3BPDE3ATP53
SCHEMBL21240243 0.89 TTK (0.38) TTKPDE10APDE3BPDE3ANEK2
SCHEMBL29578389 0.89 TTK (0.38) TTKPDE10APDE3BPDE3ANEK2
SCHEMBL21251732 0.89 TTK (0.36) TTK
SCHEMBL20331980 0.87 TTK (0.37) TTK
SCHEMBL20331104 0.87 TTK (0.36) TTKPDE3BTP53
SCHEMBL29577692 0.87 TTK (0.36) TTKPDE3BTP53

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-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2019-08-14 — — EP disclosed
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