SCHEMBL21251663

SCHEMBL21251663

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.36
▸ FGFR1 P11362 6/20 0.36
▸ FGFR2 P21802 3/20 0.36
▸ TTK P33981 2/20 0.36
▸ 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
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ FGFR4 P22455 2/20 0.32
▸ FGFR3 P22607 1/20 0.32

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
SCHEMBL21252445 0.94 TTK (0.36) NOS1FGFR1FGFR2TTKJAK2
SCHEMBL24488375 0.94 FGFR1 (0.35) NOS1FGFR1FGFR2TTKJAK2
SCHEMBL21252267 0.90 PDE10A (0.36) NOS1FGFR1FGFR2TTKJAK2
SCHEMBL21252273 0.90 FGFR1 (0.35) NOS1FGFR1FGFR2TTKJAK2
SCHEMBL21252039 0.88 TTK (0.37) NOS1TTKJAK2JAK1TYK2
SCHEMBL24488321 0.88 NOS1 (0.44) NOS1FGFR1FGFR2JAK2JAK1
SCHEMBL24488373 0.88 NOS1 (0.46) NOS1FGFR1FGFR2TTKJAK2
SCHEMBL24488356 0.88 NOS1 (0.35) NOS1FGFR1FGFR2TTKJAK2
SCHEMBL24488291 0.87 TTK (0.36) FGFR1FGFR2TTKJAK2JAK1
SCHEMBL21240454 0.87 TTK (0.35) FGFR1FGFR2TTKPIK3CAMTOR

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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