SCHEMBL22736016

SCHEMBL22736016

O=S(=O)(CC1CC1)CC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.33
▸ KDM4B O94953 2/20 0.33
▸ KDM5C P41229 2/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ GCG P01275 1/20 0.32
▸ JAK2 O60674 3/20 0.31
▸ KDM2A Q9Y2K7 1/20 0.31
▸ KDM3A Q9Y4C1 1/20 0.31
▸ JAK1 P23458 2/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL29567445 1.00 KDM4A (0.33) KDM4AKDM4BKDM5CKDM5BGCG
SCHEMBL29567316 0.92 KDM4A (0.33) KDM4AKDM4BKDM5CKDM5BGCG
SCHEMBL22736008 0.92 KDM4A (0.33) KDM4AKDM4BKDM5CKDM5BGCG
SCHEMBL29567114 0.87 JAK2 (0.33) GCGJAK2JAK1TYK2JAK3
SCHEMBL22716737 0.84 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL29567322 0.84 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL22716739 0.84 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL29567685 0.84 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL22735999 0.83 PIK3CD (0.31) GCGJAK2JAK1TYK2JAK3
SCHEMBL22736493 0.83 JAK2 (0.31) JAK2

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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