SCHEMBL22944911

SCHEMBL22944911

Cn1cnnc1CCc1cccc(-c2n[nH]c3c(N4CCC(O)CC4)cc(C(F)(F)F)nc23)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 10/20 0.36
▸ CBL P22681 3/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ PIM1 P11309 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ IDH2 P48735 1/20 0.30
▸ TLR7 Q9NYK1 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
SCHEMBL29626786 0.87 CBLB (0.48) CBLB
SCHEMBL22944908 0.87 CBLB (0.48) CBLB
SCHEMBL28741849 0.87 CBLB (0.48) CBLB
SCHEMBL22945293 0.82 CBLB (0.50) CBLB
SCHEMBL28741904 0.82 CBLB (0.50) CBLB
SCHEMBL22945305 0.82 CBLB (0.50) CBLB
SCHEMBL28741850 0.82 CBLB (0.50) CBLB
SCHEMBL28741852 0.82 CBLB (0.50) CBLB
SCHEMBL22944655 0.81 PIK3CA (0.35) CBLBCBLKDM4ETLR7
SCHEMBL22945300 0.79 CBLB (0.47) CBLB

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-2021021761-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. (US) 2021-02-04 — — WO disclosed
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