SCHEMBL19982784

SCHEMBL19982784

CCC(C)NC(=O)C1CCN(c2nccn3nc(Nc4ccc5c(c4)NC(O)C5(C)C)nc23)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ JAK1 P23458 8/20 0.35
▸ JAK2 O60674 7/20 0.35
▸ LMNA P02545 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 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
SCHEMBL19983166 0.79 SYK (0.40) SYKEIF2AK4JAK1JAK2
SCHEMBL19982840 0.79 SYK (0.40) SYKEIF2AK4JAK1JAK2
SCHEMBL19983154 0.78 SYK (0.42) SYKEIF2AK4JAK1JAK2
SCHEMBL19982833 0.77 SYK (0.42) SYKEIF2AK4JAK1JAK2
SCHEMBL15210838 0.76 SYK (0.45) SYKEIF2AK4ALDH1A1KDM4EHSD17B10
SCHEMBL19982766 0.76 SYK (0.37) SYKEIF2AK4JAK1JAK2
SCHEMBL15212878 0.75 SYK (0.47) SYKEIF2AK4JAK1JAK2
SCHEMBL19982813 0.75 SYK (0.43) SYKEIF2AK4JAK1JAK2
SCHEMBL15221165 0.75 SYK (0.46) SYKEIF2AK4JAK1JAK2
SCHEMBL15210618 0.74 SYK (0.46) SYKEIF2AK4JAK1JAK2

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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