SCHEMBL22736349

SCHEMBL22736349

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.35
▸ RIPK2 O43353 15/20 0.35
▸ JAK1 P23458 1/20 0.32
▸ GCG P01275 2/20 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
SCHEMBL29480466 1.00 JAK2 (0.35) JAK2RIPK2JAK1GCG
SCHEMBL29480497 0.86 RIPK2 (0.34) JAK2RIPK2GCG
SCHEMBL22736254 0.86 RIPK2 (0.34) JAK2RIPK2GCG
SCHEMBL22736340 0.85 RIPK2 (0.36) JAK2RIPK2GCG
SCHEMBL29480728 0.85 RIPK2 (0.36) JAK2RIPK2GCG
SCHEMBL22735965 0.84 RIPK2 (0.34) JAK2RIPK2JAK1GCG
SCHEMBL29480767 0.84 RIPK2 (0.34) JAK2RIPK2JAK1GCG
SCHEMBL29480528 0.83 RIPK2 (0.34) JAK2RIPK2JAK1GCG
SCHEMBL22716880 0.82 JAK2 (0.40) JAK2JAK1
SCHEMBL29480583 0.82 JAK2 (0.40) JAK2JAK1

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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