SCHEMBL18740108

SCHEMBL18740108

O=C(O)c1c(C(F)(F)F)nn2c1NCCC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 1/20 0.36
▸ RIPK2 O43353 3/20 0.36
▸ LCK P06239 3/20 0.36
▸ KDR P35968 3/20 0.36
▸ TGFBR1 P36897 3/20 0.36
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL28616211 0.91 PLAT (0.38) PLATLMNA
SCHEMBL13732362 0.87 RIPK2 (0.45) RIPK2LCKKDRTGFBR1LMNA
SCHEMBL18740086 0.83 PLAT (0.40) PLATRIPK2LCKKDRTGFBR1
SCHEMBL25456250 0.72 RIPK2 (0.45) RIPK2LCKKDRTGFBR1
SCHEMBL28617359 0.67 PLAT (0.34) PLATRIPK2LCKKDRTGFBR1
SCHEMBL25144842 0.67 RIPK2 (0.47) RIPK2LCKKDRTGFBR1
SCHEMBL18739970 0.64 NOX4 (0.37) TSHR
SCHEMBL25456489 0.64 RIPK2 (0.45) RIPK2LCKKDRTGFBR1
SCHEMBL21081513 0.61 MAPK1 (0.46) PLATLMNATSHRNPSR1
SCHEMBL18740127 0.60 NOTUM (0.39) TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473497-B EP4 antagonists 卫材R&D 管理有限公司 2021-09-10 — — CN disclosed
EP-3362454-A1 EP4 ANTAGONISTS Eisai R&D Management Co., Ltd. (JP) 2018-08-22 — — EP disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 — — WO disclosed
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