SCHEMBL22735745

SCHEMBL22735745

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ GCG P01275 4/20 0.32
▸ JAK2 O60674 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
▸ GCGR P47871 1/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ CDC42BPB Q9Y5S2 1/20 0.30
▸ EGLN1 Q9GZT9 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
SCHEMBL29567619 1.00 GRM4 (0.34) GRM4MAPK1GCGJAK2AURKA
SCHEMBL29568193 0.89 MAPK1 (0.33) GRM4MAPK1JAK2AURKAAURKB
SCHEMBL22735800 0.89 GRM4 (0.32) GRM4MAPK1GCGJAK2AURKA
SCHEMBL29567598 0.89 JAK2 (0.33) GRM4MAPK1GCGJAK2AURKA
SCHEMBL22736487 0.89 JAK2 (0.33) GRM4MAPK1GCGJAK2AURKA
SCHEMBL29480663 0.89 GRM4 (0.32) GRM4MAPK1GCGJAK2AURKA
SCHEMBL22716901 0.89 MAPK1 (0.33) GRM4MAPK1JAK2AURKAAURKB
SCHEMBL22716928 0.89 GRM4 (0.33) GRM4MAPK1GCGJAK2GCGR
SCHEMBL29567676 0.89 GRM4 (0.33) GRM4MAPK1GCGJAK2GCGR
SCHEMBL22716896 0.88 GRM4 (0.33) GRM4GCGJAK2GCGR

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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