SCHEMBL24820155

SCHEMBL24820155

COc1cc(CNCC2CCC2)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 14/20 0.40
▸ CD274 Q9NZQ7 11/20 0.37
▸ PDCD1 Q15116 10/20 0.37
▸ KCNH2 Q12809 3/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL30153084 1.00 VSIR (0.40) VSIRCD274PDCD1KCNH2CYP2D6
SCHEMBL24820273 0.99 VSIR (0.40) VSIRCD274PDCD1KCNH2CYP2D6
SCHEMBL30152568 0.99 VSIR (0.40) VSIRCD274PDCD1KCNH2CYP2D6
SCHEMBL30153006 0.97 VSIR (0.41) VSIRCD274PDCD1KCNH2CYP2D6
SCHEMBL24818952 0.97 VSIR (0.41) VSIRCD274PDCD1KCNH2CYP2D6
SCHEMBL24819925 0.94 VSIR (0.40) VSIRCD274PDCD1KCNH2
SCHEMBL30152858 0.94 VSIR (0.40) VSIRCD274PDCD1KCNH2
SCHEMBL24818735 0.93 VSIR (0.40) VSIRCD274PDCD1KCNH2CYP2D6
SCHEMBL24818737 0.91 VSIR (0.42) VSIRCD274PDCD1
SCHEMBL30153049 0.91 VSIR (0.42) VSIRCD274PDCD1

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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
Send feedback