SCHEMBL29640139

SCHEMBL29640139

Cn1cnnc1C(F)(F)C(C)(F)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 14/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ACSS2 Q9NR19 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ RORC P51449 1/20 0.39

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
SCHEMBL22944961 1.00 CBLB (0.62) CBLBRXFP1ACSS2AKR1C3RORC
SCHEMBL29640156 0.91 CBLB (0.52) CBLBRXFP1ACSS2AKR1C3RORC
SCHEMBL22944950 0.91 CBLB (0.52) CBLBRXFP1ACSS2AKR1C3RORC
SCHEMBL21200198 0.87 CBLB (0.66) CBLBAKR1C3
SCHEMBL29866714 0.79 HCRTR1 (0.44) CBLBRXFP1RORC
SCHEMBL21201152 0.78 CBLB (0.55) CBLBACSS2AKR1C3
SCHEMBL21212207 0.77 CBLB (1.00) CBLB
SCHEMBL30042580 0.75 RXFP1 (0.73) RXFP1
SCHEMBL1013325 0.75 RXFP1 (0.73) RXFP1
SCHEMBL28741983 0.75 CBLB (0.49) 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
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 — — CN disclosed
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