SCHEMBL23948485

SCHEMBL23948485

CSc1ncc(C(=O)O)c(NC2CC(C#N)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MERTK Q12866 1/20 0.36
PPARG P37231 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
JAK3 P52333 3/20 0.35
JAK2 O60674 1/20 0.35
PDE4B Q07343 1/20 0.34
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
AHR P35869 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL26159727 1.00 SYK (0.38) SYKMEN1KMT2AMERTKPPARG
SCHEMBL26159756 1.00 SYK (0.38) SYKMEN1KMT2AMERTKPPARG
SCHEMBL23948231 0.85 MERTK (0.44) SYKMEN1KMT2AMERTKPPARG
SCHEMBL25057374 0.85 SYK (0.41) SYKMEN1KMT2AMERTKPPARG
SCHEMBL26159709 0.85 MERTK (0.44) SYKMEN1KMT2AMERTKPPARG
SCHEMBL23948486 0.85 ALDH1A1 (0.55) SYKMEN1KMT2AALDH1A1KDM4E
SCHEMBL29502066 0.85 ALDH1A1 (0.55) SYKMEN1KMT2AALDH1A1KDM4E
SCHEMBL29501913 0.85 ALDH1A1 (0.55) SYKMEN1KMT2AALDH1A1KDM4E
SCHEMBL25419189 0.85 ALDH1A1 (0.55) SYKMEN1KMT2AALDH1A1KDM4E
SCHEMBL26159721 0.85 ALDH1A1 (0.55) SYKMEN1KMT2AALDH1A1KDM4E

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
WO-2021209055-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-10-21 WO disclosed