SCHEMBL21201152

SCHEMBL21201152

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 11/20 0.55
▸ AKR1C3 P42330 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ACSS2 Q9NR19 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
SCHEMBL21200198 0.90 CBLB (0.66) CBLBAKR1C3MAPTPOLB
SCHEMBL22944950 0.87 CBLB (0.52) CBLBAKR1C3CYP3A4CYP2C19ACSS2
SCHEMBL29640156 0.87 CBLB (0.52) CBLBAKR1C3CYP3A4CYP2C19ACSS2
SCHEMBL21200369 0.81 AKR1C3 (0.40) CBLBAKR1C3MAPTALDH1A1CYP3A4
SCHEMBL29640139 0.78 CBLB (0.62) CBLBAKR1C3ACSS2
SCHEMBL22944961 0.78 CBLB (0.62) CBLBAKR1C3ACSS2
SCHEMBL28741753 0.77 CBLB (0.50) CBLBMAPTMEN1KMT2ALMNA
SCHEMBL21201116 0.75 CBLB (0.44) CBLBMAPTPOLBLMNAGAA
SCHEMBL17925886 0.72 MEN1 (0.57) MAPTPOLBALDH1A1CYP3A4CYP2C9
Ammonia Solution, Strong SCHEMBL28873301 0.71 MAPT (0.55) MAPTALDH1A1MEN1HTTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 — — EP disclosed
WO-2021021761-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. (US) 2021-02-04 — — WO disclosed
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 — — EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 — — WO disclosed
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