SCHEMBL21252280

SCHEMBL21252280

COc1cc(OC)c(F)c(-c2cc3cnc(N)nc3c(N3CCC(OC)C3)n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.38
▸ MAP3K12 Q12852 2/20 0.37
▸ NEK2 P51955 4/20 0.36
▸ DCK P27707 3/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ NOS1 P29475 1/20 0.34

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
SCHEMBL21251916 0.95 TTK (0.39) TTKNEK2DCKMAP4K4JAK2
SCHEMBL20330834 0.92 TTK (0.37) TTKMAP3K12NEK2JAK2JAK1
SCHEMBL21252169 0.89 FGFR1 (0.38) TTKMAP3K12NEK2PDE3BPDE3A
SCHEMBL29578126 0.87 TTK (0.37) TTKMAP3K12NEK2PDE3BPDE3A
SCHEMBL20331967 0.87 TTK (0.37) TTKMAP3K12NEK2PDE3BPDE3A
SCHEMBL24488377 0.85 NOS1 (0.44) NEK2JAK2JAK1TYK2KDR
SCHEMBL20331865 0.85 PDE10A (0.37) MAP3K12NEK2PDE3BPDE3APDE10A
SCHEMBL21252186 0.84 FFAR2 (0.43) TTKMAP3K12
SCHEMBL21252314 0.83 GAK (0.39) MAP3K12JAK2JAK1TYK2KDR
SCHEMBL24488354 0.83 MAP4K4 (0.39) TTKMAP3K12NEK2MAP4K4NOS1

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 2 patents. 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
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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