SCHEMBL21252289

SCHEMBL21252289

CCc1c(OC)cc(OC)c(Cl)c1-c1cc2cnc(N)nc2c(N2CCC(C)(O)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 1/20 0.37
▸ TTK P33981 2/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ TYK2 P29597 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ FGFR1 P11362 2/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ CNR2 P34972 6/20 0.35
▸ FGFR4 P22455 1/20 0.33
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33

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
SCHEMBL21252435 0.93 JAK2 (0.38) TTKJAK2JAK1TYK2KDR
SCHEMBL24488291 0.93 TTK (0.36) MAP3K12TTKJAK2JAK1TYK2
SCHEMBL21252267 0.88 PDE10A (0.36) TTKJAK2JAK1TYK2KDR
SCHEMBL21252266 0.86 JAK2 (0.36) MAP3K12JAK2JAK1TYK2KDR
SCHEMBL21252258 0.86 NOS1 (0.42) JAK2JAK1TYK2KDRJAK3
SCHEMBL24488267 0.86 JAK2 (0.37) TTKJAK2JAK1TYK2KDR
SCHEMBL21252520 0.85 JAK2 (0.38) MAP3K12TTKJAK2JAK1TYK2
SCHEMBL21252298 0.84 TTK (0.38) MAP3K12TTKJAK2JAK1TYK2
SCHEMBL21252085 0.83 TTK (0.38) MAP3K12TTKJAK2JAK1TYK2
SCHEMBL21252066 0.82 FGFR1 (0.37) TTKJAK2JAK1TYK2KDR

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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