SCHEMBL22736014

SCHEMBL22736014

N#CCc1cccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.38
▸ GRM5 P41594 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ JAK2 O60674 10/20 0.33
▸ JAK1 P23458 8/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ TNF P01375 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ INCENP Q9NQS7 1/20 0.31
▸ TPX2 Q9ULW0 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
SCHEMBL29480627 1.00 GRM4 (0.38) GRM4GRM5IRAK4JAK2JAK1
SCHEMBL22736010 0.84 KDM5A (0.38) GRM4GRM5JAK2JAK1JAK3
SCHEMBL29480471 0.84 EGLN1 (0.37) GRM4GRM5JAK2JAK1JAK3
SCHEMBL22735993 0.84 EGLN1 (0.37) GRM4GRM5JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL29480556 0.83 EGLN1 (0.36) GRM4GRM5JAK2JAK1JAK3
SCHEMBL22716872 0.82 GRM4 (0.44) GRM4GRM5
SCHEMBL29480526 0.82 GRM4 (0.44) GRM4GRM5
SCHEMBL22736159 0.81 GRM4 (0.45) GRM4JAK2JAK1JAK3TYK2
SCHEMBL22735992 0.81 GRM4 (0.35) GRM4JAK2JAK1JAK3TYK2
SCHEMBL22735962 0.81 GRM4 (0.35) GRM4JAK2JAK1JAK3TYK2

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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