SCHEMBL21252291

SCHEMBL21252291

COc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CC(C)(C#N)C3)n2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.41
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ FGFR1 P11362 7/20 0.32
▸ FGFR2 P21802 4/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ FGFR4 P22455 4/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ P2RX2 Q9UBL9 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
SCHEMBL24488350 0.93 TTK (0.38) TTKCCNA2CDK2JAK2JAK1
SCHEMBL24488356 0.91 NOS1 (0.35) TTKJAK2JAK1TYK2KDR
SCHEMBL21252208 0.89 TTK (0.38) TTKJAK2JAK1TYK2KDR
SCHEMBL21252315 0.88 TTK (0.38) TTKCCNA2CDK2FGFR1FGFR2
SCHEMBL21252273 0.87 FGFR1 (0.35) TTKJAK2JAK1TYK2KDR
SCHEMBL24488267 0.87 JAK2 (0.37) TTKJAK2JAK1TYK2KDR
SCHEMBL20331761 0.87 TTK (0.41) TTKCCNA2CDK2FGFR1FGFR2
SCHEMBL29577301 0.87 TTK (0.41) TTKCCNA2CDK2FGFR1FGFR2
SCHEMBL21252321 0.86 MAP3K12 (0.37) TTKJAK2JAK1TYK2KDR
SCHEMBL21252442 0.86 TTK (0.34) 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 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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