SCHEMBL19982799

SCHEMBL19982799

Cc1nc2cc(Nc3nc4c(-c5ccc([S+](C)[O-])cc5)nccn4n3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.41
EIF2AK4 Q9P2K8 1/20 0.41
JAK2 O60674 16/20 0.33
JAK3 P52333 14/20 0.33
PTK2 Q05397 13/20 0.33
TNIK Q9UKE5 1/20 0.32
PRKCI P41743 1/20 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
SCHEMBL21403 0.87 SYK (0.42) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15210682 0.85 JAK3 (0.50) JAK2JAK3PTK2
SCHEMBL20713 0.81 SYK (0.58) SYKEIF2AK4
SCHEMBL15210836 0.79 JAK2 (0.49) JAK2JAK3PTK2
SCHEMBL16394496 0.78 JAK2 (0.51) SYKEIF2AK4JAK2JAK3
SCHEMBL16407112 0.76 SYK (0.42) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15210557 0.74 SYK (0.57) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15210962 0.74 JAK2 (0.40) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15221151 0.73 JAK2 (0.46) JAK2JAK3PTK2
SCHEMBL20459 0.72 SYK (0.42) SYKEIF2AK4JAK2JAK3PTK2

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-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