SCHEMBL22735993

SCHEMBL22735993

N#CCc1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 3/20 0.37
▸ GRM4 Q14833 2/20 0.36
▸ JAK2 O60674 12/20 0.34
▸ JAK1 P23458 9/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ GRM5 P41594 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ INCENP Q9NQS7 1/20 0.32
▸ TPX2 Q9ULW0 1/20 0.32
▸ ATR Q13535 1/20 0.32

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
SCHEMBL29480471 1.00 EGLN1 (0.37) EGLN1GRM4JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL29480556 0.99 EGLN1 (0.36) EGLN1GRM4JAK2JAK1JAK3
SCHEMBL22736010 0.88 KDM5A (0.38) GRM4JAK2JAK1JAK3TYK2
SCHEMBL22736159 0.87 GRM4 (0.45) GRM4JAK2JAK1JAK3TYK2
SCHEMBL22736280 0.86 GRM4 (0.38) EGLN1GRM4JAK2AURKAAURKB
SCHEMBL29480555 0.86 GRM4 (0.38) EGLN1GRM4JAK2AURKAAURKB
SCHEMBL29567533 0.84 EGLN1 (0.36) EGLN1GRM4JAK2JAK1JAK3
SCHEMBL22735720 0.84 EGLN1 (0.36) EGLN1GRM4JAK2JAK1JAK3
SCHEMBL22736279 0.84 GRM5 (0.41) EGLN1GRM4JAK2JAK1JAK3
SCHEMBL29823952 0.84 GRM5 (0.41) EGLN1GRM4JAK2JAK1JAK3

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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