SCHEMBL22626322

SCHEMBL22626322

C/C=C\C(=C/C)n1nc(C(=O)NCCCN2CCOC2=O)c2c1-c1cc(C=C(C)C)c(OC)cc1OC2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASK O14936 2/20 0.31
▸ CSNK1E P49674 2/20 0.31
▸ TYRO3 Q06418 2/20 0.31
▸ ACKR3 P25106 1/20 0.30
▸ LMNA P02545 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
SCHEMBL16377978 0.83 KMT2A (0.34) CASKCSNK1ETYRO3ACKR3
SCHEMBL16377724 0.79 RAD52 (0.33) ACKR3
SCHEMBL22626670 0.77 NR1H4 (0.32) —
SCHEMBL22626337 0.76 SLC8A1 (0.30) —
SCHEMBL22626523 0.76 NR1H4 (0.34) —
SCHEMBL22626611 0.75 RAD52 (0.32) ACKR3
SCHEMBL22626444 0.73 PLAT (0.31) —
SCHEMBL16377981 0.71 — —
SCHEMBL16377938 0.70 RAD52 (0.35) ACKR3
SCHEMBL22626280 0.70 — —

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-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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