SCHEMBL19982833

SCHEMBL19982833

CC1(C)c2ccc(Nc3nc4c(N5CCNC(=O)CC5)nccn4n3)cc2NC1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.42
▸ EIF2AK4 Q9P2K8 1/20 0.42
▸ JAK2 O60674 16/20 0.34
▸ JAK3 P52333 7/20 0.34
▸ PTK2 Q05397 7/20 0.34
▸ JAK1 P23458 8/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ WEE1 P30291 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ GRIA1 P42261 1/20 0.32

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
SCHEMBL15210624 0.86 SYK (0.47) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19983166 0.84 SYK (0.40) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19982840 0.84 SYK (0.40) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19983154 0.83 SYK (0.42) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19982813 0.83 SYK (0.43) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19982766 0.81 SYK (0.37) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19982960 0.79 SYK (0.36) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19982784 0.77 SYK (0.39) SYKEIF2AK4JAK2JAK1
SCHEMBL15210740 0.75 SYK (0.51) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL19982923 0.75 SYK (0.39) 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
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