SCHEMBL22735965

SCHEMBL22735965

O=C(CCC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C(F)(F)F)NC1CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 9/20 0.34
▸ GCG P01275 7/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TDO2 P48775 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
SCHEMBL29480767 1.00 RIPK2 (0.34) RIPK2GCGJAK2JAK1TDO2
SCHEMBL29480497 0.90 RIPK2 (0.34) RIPK2GCGJAK2
SCHEMBL22736254 0.90 RIPK2 (0.34) RIPK2GCGJAK2
SCHEMBL22736259 0.89 PDK2 (0.35) GCGJAK2JAK1
SCHEMBL29567075 0.89 PDK2 (0.35) GCGJAK2JAK1
SCHEMBL22736177 0.88 PDK2 (0.36) GCGJAK2JAK1
SCHEMBL22736028 0.88 PDK2 (0.36) GCGJAK2JAK1
SCHEMBL29480640 0.87 JAK2 (0.31) GCGJAK2
SCHEMBL22716870 0.87 JAK2 (0.31) GCGJAK2
SCHEMBL29480711 0.85 RIPK2 (0.35) RIPK2GCG

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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