SCHEMBL24815604

SCHEMBL24815604

CNc1ccc2nc(C(C)(C)O)n(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 18/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.36

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
SCHEMBL24815611 0.80 ACSS2 (0.55) ACSS2SMN1; SMN2
SCHEMBL24329947 0.78 ACSS2 (0.43) ACSS2SMN1; SMN2
SCHEMBL8306428 0.76 KDM4E (0.51) SMN1; SMN2EGFR
SCHEMBL10238329 0.69 ACSS2 (0.52) ACSS2SMN1; SMN2
SCHEMBL10722305 0.66 LMNA (0.52) SMN1; SMN2
SCHEMBL24188515 0.66 ACSS2 (0.50) ACSS2SMN1; SMN2
SCHEMBL13587195 0.66 ACSS2 (0.43) ACSS2SMN1; SMN2
SCHEMBL15112112 0.65 MAPT (0.45) ACSS2SMN1; SMN2
SCHEMBL24867220 0.65 ACSS2 (0.45) ACSS2SMN1; SMN2
SCHEMBL13526687 0.65 ACSS2 (0.48) ACSS2

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-2022268180-A1 PYRIMIDINE AND NITROGEN-CONTAINING SIX-MEMBERED AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2022-12-29 WO disclosed