SCHEMBL17035576

SCHEMBL17035576

Clc1nccn2nc(Nc3ccccc3)nc12.N[SH](=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.45
▸ JAK3 P52333 8/20 0.45
▸ WEE1 P30291 2/20 0.40
▸ PTK2 Q05397 5/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ GSK3A P49840 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ PSMD14 O00487 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ CCND2 P30279 2/20 0.36
▸ CCND3 P30281 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL20035 0.92 JAK2 (0.51) JAK2JAK3WEE1PTK2MEN1
SCHEMBL16394451 0.80 JAK2 (0.49) JAK2JAK3PTK2MEN1KMT2A
SCHEMBL15221144 0.79 JAK2 (0.46) JAK2JAK3PTK2KMT2AMAPT
SCHEMBL15221157 0.79 CA1 (0.52) JAK2JAK3PTK2
SCHEMBL15221147 0.78 CDK1 (0.52) JAK2JAK3PTK2MAPK1GSK3A
SCHEMBL21018 0.78 NFKB1 (0.51) JAK2JAK3PTK2MAPTNFKB1
SCHEMBL16394492 0.77 JAK2 (0.63) JAK2JAK3PTK2
SCHEMBL16394411 0.76 SYK (0.55) JAK2JAK3MEN1KMT2AUSP2
SCHEMBL15210382 0.76 JAK2 (0.53) JAK2JAK3PTK2MEN1KMT2A
SCHEMBL19913 0.75 JAK2 (0.50) JAK2JAK3PTK2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817310-B1 8-SUBSTITUTED 2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2018-03-21 — — EP disclosed
US-9120804-B2 8-substituted 2-amino-[1,2,4] triazolo [1, 5-A] pyrazines as Syk tryrosine kinase inhibitors and GCN2 serin kinase inhibitors MERCK PATENT GMBH (DE) 2015-09-01 — — US disclosed
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