SCHEMBL24201700

SCHEMBL24201700

CC(=O)Nc1ccc2c(c1)CCN2c1ncnc(C)c1N=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
EGFR P00533 3/20 0.40
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
SCN9A Q15858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37

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
SCHEMBL23761495 0.82 MKNK1 (0.55) NPC1RAB9AMAPTSMN1; SMN2EGFR
SCHEMBL9115905 0.77 EGFR (0.66) EGFRCSF1R
SCHEMBL23761308 0.76 MKNK1 (0.48) SRD5A1SRD5A2MKNK1MKNK2EIF4E
SCHEMBL24202017 0.75 NOTUM (0.41) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL24202076 0.73 MKNK1 (0.34) NPC1RAB9AMAPTSMN1; SMN2EGFR
SCHEMBL23761492 0.73 MKNK1 (0.45) SRD5A1SRD5A2MKNK1MKNK2EIF4E
SCHEMBL23761530 0.73 NOTUM (0.40) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL24201824 0.73 MKNK1 (0.45) EGFRSRD5A1SRD5A2MKNK1MKNK2
SCHEMBL23761642 0.73 EIF4E (0.35) NPC1RAB9AMAPTSMN1; SMN2EGFR
SCHEMBL24201711 0.72 MKNK1 (0.44) SMN1; SMN2ALDH1A1SRD5A1MEN1KMT2A

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
EP-3939981-A1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LifeArc (GB) 2022-01-19 EP disclosed