SCHEMBL22735719

SCHEMBL22735719

C[S+]([O-])NCc1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.34
▸ AURKA O14965 2/20 0.32
▸ AURKB Q96GD4 2/20 0.32
▸ INCENP Q9NQS7 2/20 0.32
▸ TPX2 Q9ULW0 2/20 0.32
▸ CCNK O75909 1/20 0.31
▸ CDK12 Q9NYV4 1/20 0.31

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
SCHEMBL29567608 0.83 GRM4 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480555 0.83 GRM4 (0.38) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736280 0.83 GRM4 (0.38) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736278 0.80 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29567624 0.80 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736006 0.80 GRM4 (0.36) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480471 0.80 EGLN1 (0.37) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22735993 0.80 EGLN1 (0.37) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29567447 0.80 GRM4 (0.36) GRM4AURKAAURKBINCENPTPX2
Hydrochloric Acid SCHEMBL29480556 0.79 EGLN1 (0.36) GRM4AURKAAURKBINCENPTPX2

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-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
Send feedback