SCHEMBL22736496

SCHEMBL22736496

CC(C)N(CCC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C(F)(F)F)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 1/20 0.33
▸ GRM4 Q14833 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ INCENP Q9NQS7 1/20 0.31
▸ TPX2 Q9ULW0 1/20 0.31
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL29567085 1.00 GCG (0.33) GCGGRM4JAK2AURKAAURKB
SCHEMBL22736500 0.88 JAK2 (0.32) GCGGRM4JAK2MAPK1
SCHEMBL22736285 0.88 JAK2 (0.32) GCGGRM4JAK2MAPK1
SCHEMBL29567261 0.88 JAK2 (0.32) GCGGRM4JAK2MAPK1
SCHEMBL29480626 0.87 JAK2 (0.31) GCGGRM4JAK2MAPK1
SCHEMBL22736163 0.87 JAK2 (0.31) GCGGRM4JAK2MAPK1
SCHEMBL29480580 0.87 JAK2 (0.31) GCGGRM4JAK2MAPK1
SCHEMBL22716892 0.87 JAK2 (0.31) GCGGRM4JAK2MAPK1
SCHEMBL22716893 0.87 JAK2 (0.31) GCGGRM4JAK2MAPK1
SCHEMBL22735800 0.87 GRM4 (0.32) GCGGRM4JAK2AURKAAURKB

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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