SCHEMBL22735896

SCHEMBL22735896

OC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 6/20 0.36
▸ GRM4 Q14833 2/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ RIPK2 O43353 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
▸ CASP3 P42574 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ CASP7 P55210 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
SCHEMBL29480484 0.94 GRM4 (0.35) MELKGRM4RIPK2AURKAAURKB
SCHEMBL22736238 0.94 GRM4 (0.35) MELKGRM4RIPK2AURKAAURKB
SCHEMBL22736196 0.89 KDM4A (0.38) MELKGRM4PDGFRAFLT3HASPIN
SCHEMBL29480606 0.89 KDM4A (0.38) MELKGRM4PDGFRAFLT3HASPIN
SCHEMBL29480547 0.86 JAK2 (0.39) CDK9
SCHEMBL29480486 0.81 JAK2 (0.34) GRM4
SCHEMBL22735736 0.81 JAK2 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480633 0.81 JAK2 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736484 0.80 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480552 0.80 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2

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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