SCHEMBL30152786

SCHEMBL30152786

COC[C@H](C)NCc1cc(C)c2oc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 7/20 0.36
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CETP P11597 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PDCD1 Q15116 2/20 0.31
▸ CD274 Q9NZQ7 2/20 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
SCHEMBL24818766 1.00 VSIR (0.36) VSIRHPGDALDH1A1CYP2D6CETP
SCHEMBL24818934 0.92 VSIR (0.35) VSIRALDH1A1CYP2D6CETP
SCHEMBL24818945 0.92 VSIR (0.35) VSIRALDH1A1CYP2D6CETP
SCHEMBL24818948 0.92 VSIR (0.35) VSIRALDH1A1CYP2D6CETP
SCHEMBL24818740 0.88 VSIR (0.44) VSIRHPGDCETPTP53MAPT
SCHEMBL24819032 0.87 CBLB (0.34) —
SCHEMBL30152998 0.87 CBLB (0.34) —
SCHEMBL30152960 0.87 CBLB (0.34) —
SCHEMBL24821811 0.87 CBLB (0.34) —
SCHEMBL29190093 0.84 ALDH1A1 (0.34) HPGDALDH1A1CYP2D6CETPTP53

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
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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