SCHEMBL21252086

SCHEMBL21252086

COc1cc(OC)c(F)c(-c2cc3cnc(N)nc3c(N3CC(C)(O)C3)n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.38
▸ JAK1 P23458 4/20 0.38
▸ TYK2 P29597 4/20 0.38
▸ JAK3 P52333 4/20 0.38
▸ KDR P35968 3/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ TTK P33981 4/20 0.34
▸ NOS1 P29475 1/20 0.33
▸ MAP3K12 Q12852 1/20 0.32
▸ IGF1R P08069 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ P2RX2 Q9UBL9 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
SCHEMBL21252298 0.92 TTK (0.38) JAK2JAK1TYK2JAK3KDR
SCHEMBL21251781 0.90 JAK2 (0.36) JAK2JAK1TYK2JAK3KDR
SCHEMBL24488400 0.90 MAP3K12 (0.38) JAK2JAK1TYK2JAK3KDR
SCHEMBL24488267 0.88 JAK2 (0.37) JAK2JAK1TYK2JAK3KDR
SCHEMBL21252199 0.86 TTK (0.39) JAK2JAK1TYK2JAK3KDR
SCHEMBL30442688 0.86 TTK (0.34) TTK
SCHEMBL21252019 0.85 TTK (0.37) JAK2JAK1TYK2JAK3KDR
SCHEMBL24488377 0.85 NOS1 (0.44) JAK2JAK1TYK2JAK3KDR
SCHEMBL21252282 0.84 JAK2 (0.34) JAK2JAK1TYK2JAK3KDR
SCHEMBL30443541 0.84 TTK (0.34) 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 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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