SCHEMBL22736280

SCHEMBL22736280

OCc1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.38
▸ VHL P40337 1/20 0.38
▸ KDM5A P29375 1/20 0.36
▸ KDM4A O75164 1/20 0.35
▸ KDM4B O94953 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ AURKA O14965 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34
▸ INCENP Q9NQS7 2/20 0.34
▸ TPX2 Q9ULW0 2/20 0.34
▸ EGLN1 Q9GZT9 5/20 0.33
▸ MAPK1 P28482 4/20 0.33
▸ HTR2B P41595 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.31
▸ JAK2 O60674 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
SCHEMBL29480555 1.00 GRM4 (0.38) GRM4VHLKDM5AKDM4AKDM4B
SCHEMBL22736006 0.86 GRM4 (0.36) GRM4KDM4AKDM4BKDM5CKDM5B
SCHEMBL29480471 0.86 EGLN1 (0.37) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29567447 0.86 GRM4 (0.36) GRM4KDM4AKDM4BKDM5CKDM5B
SCHEMBL22735993 0.86 EGLN1 (0.37) GRM4AURKAAURKBINCENPTPX2
Hydrochloric Acid SCHEMBL29480556 0.85 EGLN1 (0.36) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736489 0.84 GRM4 (0.33) GRM4KDM4AKDM4BKDM5CKDM5B
SCHEMBL29567716 0.84 GRM4 (0.33) GRM4KDM4AKDM4BKDM5CKDM5B
SCHEMBL22736278 0.84 GRM4 (0.35) GRM4KDM4AKDM4BKDM5CKDM5B
SCHEMBL29567624 0.84 GRM4 (0.35) GRM4KDM4AKDM4BKDM5CKDM5B

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
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