SCHEMBL19982840

SCHEMBL19982840

CCC1(O)CCN(c2nccn3nc(Nc4ccc5c(c4)NC(O)C5(C)C)nc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.40
▸ JAK1 P23458 17/20 0.36
▸ JAK2 O60674 14/20 0.36
▸ JAK3 P52333 2/20 0.33
▸ PTK2 Q05397 1/20 0.33

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
SCHEMBL19983154 0.86 SYK (0.42) SYKEIF2AK4JAK1JAK2JAK3
SCHEMBL15210539 0.85 SYK (0.49) SYKEIF2AK4JAK1JAK2JAK3
SCHEMBL19982833 0.84 SYK (0.42) SYKEIF2AK4JAK1JAK2JAK3
SCHEMBL19983166 0.83 SYK (0.40) SYKEIF2AK4JAK1JAK2JAK3
SCHEMBL19982766 0.81 SYK (0.37) SYKEIF2AK4JAK1JAK2JAK3
SCHEMBL19982813 0.79 SYK (0.43) SYKEIF2AK4JAK1JAK2JAK3
SCHEMBL19982784 0.79 SYK (0.39) SYKEIF2AK4JAK1JAK2
SCHEMBL19982960 0.77 SYK (0.36) SYKEIF2AK4JAK1JAK2JAK3
SCHEMBL19982923 0.75 SYK (0.39) SYKEIF2AK4JAK1JAK2JAK3
SCHEMBL15210848 0.74 SYK (0.49) SYKEIF2AK4JAK1JAK2JAK3

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
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