SCHEMBL24488356

SCHEMBL24488356

COc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CCC(C)(C#N)CC3)n2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.35
▸ TTK P33981 4/20 0.34
▸ FGFR1 P11362 6/20 0.33
▸ FGFR2 P21802 2/20 0.33
▸ 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
▸ PTPN11 Q06124 2/20 0.31
▸ FGFR4 P22455 2/20 0.31
▸ FGFR3 P22607 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
SCHEMBL21252442 0.95 TTK (0.34) NOS1TTKFGFR1FGFR2JAK2
SCHEMBL24488350 0.95 TTK (0.38) NOS1TTKFGFR1FGFR2JAK2
SCHEMBL21252291 0.91 TTK (0.41) NOS1TTKFGFR1FGFR2JAK2
SCHEMBL21252315 0.90 TTK (0.38) NOS1TTKFGFR1FGFR2
SCHEMBL21251663 0.88 NOS1 (0.36) NOS1TTKFGFR1FGFR2JAK2
SCHEMBL21252267 0.88 PDE10A (0.36) NOS1TTKFGFR1FGFR2JAK2
SCHEMBL29577336 0.87 PDE9A (0.34) TTKFGFR4
SCHEMBL21240135 0.87 PDE9A (0.34) TTKFGFR4
SCHEMBL24488373 0.85 NOS1 (0.46) NOS1TTKFGFR1FGFR2JAK2
SCHEMBL24488321 0.85 NOS1 (0.44) NOS1FGFR1FGFR2JAK2JAK1

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-B1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2022-06-08 — — EP disclosed
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