SCHEMBL2145069

SCHEMBL2145069

CC(Cn1cc(-c2ncnc3[nH]ccc23)cn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.53
▸ HDAC6 Q9UBN7 10/20 0.53
▸ HDAC1 Q13547 7/20 0.52
▸ JAK1 P23458 9/20 0.51
▸ JAK3 P52333 7/20 0.51
▸ TYK2 P29597 4/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ NCOR2 Q9Y618 2/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.47
▸ DAPK3 O43293 2/20 0.45
▸ PAK4 O96013 2/20 0.45
▸ ABL1 P00519 2/20 0.45
▸ RET P07949 2/20 0.45

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
SCHEMBL15389196 0.85 JAK2 (0.49) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL100975 0.81 JAK2 (0.55) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL27741962 0.81 JAK2 (0.56) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13774665 0.80 JAK2 (0.61) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13695724 0.80 JAK2 (0.62) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13695723 0.78 JAK2 (0.65) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL28340692 0.78 JAK2 (0.61) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL99212 0.77 JAK2 (0.53) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL100938 0.76 JAK2 (0.59) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL20908684 0.76 JAK2 (0.69) JAK2HDAC6HDAC1JAK1JAK3

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
EP-2348023-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-27 — — EP claimed
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