SCHEMBL27954191

SCHEMBL27954191

CC(C)(C)OC(=O)C(=N)CC(Cc1cccnc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.43
▸ TBXAS1 P24557 3/20 0.43
▸ ANPEP P15144 2/20 0.43
▸ ERAP1 Q9NZ08 2/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ FDPS P14324 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CPA1 P15085 2/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ CPB1 P15086 1/20 0.40
▸ CPA3 P15088 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40

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
SCHEMBL30191579 0.85 CYP3A4 (0.46) CYP3A4TBXAS1ANPEPERAP1ERAP2
SCHEMBL22035309 0.85 CYP3A4 (0.46) CYP3A4TBXAS1ANPEPERAP1ERAP2
SCHEMBL27944378 0.79 CTSL (0.47) CPA1CPB1CPA3CPB2
SCHEMBL27756525 0.78 KMT2A (0.48) CPA1CPB1CPA3CPB2
SCHEMBL27954186 0.78 CTSS (0.44) CPA1CPB1CPA3CPB2
SCHEMBL27954184 0.78 PTPRA (0.47) FDPSCPA1CPB1CPA3CPB2
SCHEMBL2284531 0.78 CYP3A4 (0.53) CYP3A4TBXAS1ANPEPERAP1ERAP2
SCHEMBL20366127 0.77 CPA1 (0.67) TBXAS1ANPEPERAP1ERAP2FDPS
SCHEMBL7384333 0.76 CYP1A2 (0.62) TBXAS1ANPEPERAP1ERAP2FDPS
SCHEMBL27944387 0.76 PPARG (0.41) CPA1CPB1CPA3CPB2

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
CN-105130967-A Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as trka kinase inhibitors ARRAY BIOPHARMA INC 2015-12-09 — — CN disclosed
CN-103649076-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-09 — — CN disclosed
CN-103649076-A Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as trka kinase inhibitors ARRAY BIOPHARMA INC 2014-03-19 — — CN disclosed
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