SCHEMBL21251732

SCHEMBL21251732

COc1cc(C)c(C)c(-c2cc3cnc(SC)nc3c(N3CCCC(OC)C3)n2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.36
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ LRRK2 Q5S007 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
SCHEMBL21240312 0.92 TTK (0.37) TTKPIM1PIM3PIM2MAP4K4
SCHEMBL29578336 0.92 TTK (0.37) TTKPIM1PIM3PIM2MAP4K4
SCHEMBL21251736 0.89 TTK (0.35) TTK
SCHEMBL24488209 0.88 TTK (0.37) TTKMAP4K4MAOBHTR6LRRK2
SCHEMBL20331964 0.87 PDE10A (0.36) TTK
SCHEMBL29578107 0.87 PDE10A (0.36) TTK
SCHEMBL29577692 0.83 TTK (0.36) TTK
SCHEMBL20331104 0.83 TTK (0.36) TTK
SCHEMBL20331101 0.82 MEN1 (0.36) —
SCHEMBL21240243 0.82 TTK (0.38) TTK

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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