SCHEMBL21252445

SCHEMBL21252445

COc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CCC(C)(OC)CC3)n2)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.36
▸ NOS1 P29475 1/20 0.34
▸ FGFR1 P11362 5/20 0.34
▸ FGFR2 P21802 2/20 0.34
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PTPN11 Q06124 3/20 0.31
▸ FGFR4 P22455 1/20 0.31

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
SCHEMBL21251663 0.94 NOS1 (0.36) TTKNOS1FGFR1FGFR2JAK2
SCHEMBL24488375 0.89 FGFR1 (0.35) TTKNOS1FGFR1FGFR2JAK2
SCHEMBL21252442 0.89 TTK (0.34) TTKNOS1FGFR1FGFR2JAK2
SCHEMBL20331785 0.88 TTK (0.35) TTKFGFR4
SCHEMBL21252315 0.85 TTK (0.38) TTKNOS1FGFR1FGFR2
SCHEMBL21252039 0.85 TTK (0.37) TTKNOS1JAK2JAK1TYK2
SCHEMBL21252267 0.85 PDE10A (0.36) TTKNOS1FGFR1FGFR2JAK2
SCHEMBL21252273 0.85 FGFR1 (0.35) TTKNOS1FGFR1FGFR2JAK2
SCHEMBL20332031 0.83 PDE9A (0.38) TTKFGFR1FGFR2FGFR4
SCHEMBL20331978 0.83 PDE9A (0.39) TTKFGFR1FGFR2FGFR4

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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