SCHEMBL30967649

SCHEMBL30967649

CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCc1ccccc1)CN(CCO)C(=O)c1cc2c(OCC(F)(F)F)nccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.43
▸ MAPT P10636 3/20 0.35
▸ KLK7 P49862 2/20 0.33
▸ KLK5 Q9Y337 2/20 0.33
▸ TACR1 P25103 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL30967457 0.70 SYK (0.43) SYKMAPTKLK7KLK5ATM
SCHEMBL30967451 0.69 PARP1 (0.36) SYKTDP1
SCHEMBL27619942 0.69 SYK (0.70) SYKMAPTKLK7KLK5ATM
SCHEMBL14497036 0.69 SYK (0.70) SYKMAPTKLK7KLK5ATM
SCHEMBL30269165 0.68 SYK (0.71) SYKMAPTKLK7KLK5ATM
SCHEMBL30489620 0.68 SYK (0.74) SYKMAPTKLK7KLK5ATM
SCHEMBL14497009 0.68 SYK (0.74) SYKMAPTKLK7KLK5ATM
SCHEMBL28668267 0.68 SYK (0.74) SYKMAPTKLK7KLK5ATM
SCHEMBL14497010 0.67 SYK (0.66) SYKMAPTKLK7KLK5ATM
SCHEMBL975349 0.66 SYK (0.74) SYKMAPTATMCYP3A4

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-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 — — EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
Send feedback