SCHEMBL22735720

SCHEMBL22735720

N#CCC(=O)NCc1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.36
▸ RET P07949 4/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ JAK2 O60674 7/20 0.34
▸ KCNJ1 P48048 1/20 0.33
▸ GRM4 Q14833 2/20 0.33
▸ JAK1 P23458 4/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ MERTK Q12866 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
SCHEMBL29567533 1.00 EGLN1 (0.36) EGLN1RETMCL1JAK2KCNJ1
SCHEMBL29480471 0.84 EGLN1 (0.37) EGLN1JAK2GRM4JAK1JAK3
SCHEMBL22735993 0.84 EGLN1 (0.37) EGLN1JAK2GRM4JAK1JAK3
Hydrochloric Acid SCHEMBL29480556 0.83 EGLN1 (0.36) EGLN1JAK2GRM4JAK1JAK3
SCHEMBL29480555 0.81 GRM4 (0.38) EGLN1JAK2GRM4
SCHEMBL22736280 0.81 GRM4 (0.38) EGLN1JAK2GRM4
SCHEMBL22736023 0.81 JAK2 (0.35) JAK2JAK1JAK3TYK2
SCHEMBL22716885 0.80 GCG (0.39) EGLN1JAK2JAK3
SCHEMBL29567469 0.80 GCG (0.39) EGLN1JAK2JAK3
SCHEMBL22716880 0.80 JAK2 (0.40) JAK2JAK1JAK3TYK2

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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