SCHEMBL23196350

SCHEMBL23196350

CSc1nc(OC(C)(C)C)ncc1Br

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL896479 0.77 GAA (1.00) GAANPSR1ATMMEN1KMT2A
SCHEMBL23196338 0.73 ACACB (0.34) GAA
SCHEMBL23196348 0.70 GAA (0.58) GAANPSR1ATMMEN1KMT2A
SCHEMBL3121668 0.70 PDK2 (0.31) ALDH1A1
SCHEMBL13734929 0.69 CDK1 (0.38) GAAALDH1A1SMN1; SMN2
SCHEMBL30873286 0.69 CDK1 (0.38) GAAALDH1A1SMN1; SMN2
SCHEMBL18444813 0.69 GAA (0.57) GAANPSR1ATMMEN1KMT2A
SCHEMBL1416493 0.68 ABL1 (0.37) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3125797 0.68
SCHEMBL29397320 0.68 ABL1 (0.37) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4023642-A1 JNK INHIBITOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-07-06 EP disclosed
WO-2021063207-A1 JNK INHIBITOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 武汉朗来科技发展有限公司 2021-04-08 WO disclosed