SCHEMBL3629295

SCHEMBL3629295

CCN(C(=O)OC(C)(C)C)c1cnc(Cl)cc1I

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.32
GAA P10253 2/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31
CNR2 P34972 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
SYK P43405 1/20 0.30
AAK1 Q2M2I8 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL29920335 1.00 P2RX3 (0.32) P2RX3GAAMCOLN3STK17BSTK17A
SCHEMBL1397666 0.83 P2RX3 (0.38) P2RX3STK17BSTK17ACNR2ALDH1A1
SCHEMBL29594217 0.83 P2RX3 (0.38) P2RX3STK17BSTK17ACNR2ALDH1A1
SCHEMBL15584044 0.80 CA12 (0.35) STK17BSTK17ACNR2
SCHEMBL30907180 0.77 SYK (0.34) P2RX3GAASTK17BSTK17ANPSR1
SCHEMBL30373155 0.76 GAA (0.35) P2RX3GAAMCOLN3NPSR1AAK1
SCHEMBL3634187 0.75 KMT2A (0.43) GAANPSR1KDM4EALDH1A1POLB
SCHEMBL17947811 0.75 FDFT1 (0.33) CNR2ALDH1A1
SCHEMBL30349062 0.74 GPBAR1 (0.41) P2RX3GAAMCOLN3AAK1
SCHEMBL19675997 0.73 CA12 (0.35) STK17BSTK17ASYKAAK1

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-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO disclosed