SCHEMBL19970673

SCHEMBL19970673

CCn1ncc2ccc(Nc3nc4c(-c5cnn(C)c5)nccn4n3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.55
EIF2AK4 Q9P2K8 1/20 0.55
CDK2 P24941 9/20 0.38
TTK P33981 4/20 0.38
CCNA2 P20248 2/20 0.38
MET P08581 1/20 0.37
SLC2A1 P11166 1/20 0.36
NOTUM Q6P988 1/20 0.35
AXL P30530 1/20 0.35
CCNE2 O96020 7/20 0.35
CCNE1 P24864 7/20 0.35
CCNB2 O95067 6/20 0.35
CDK1 P06493 6/20 0.35
CCNB1 P14635 6/20 0.35
CDK5 Q00535 6/20 0.35
CDK5R1 Q15078 6/20 0.35
CCNB3 Q8WWL7 6/20 0.35
CCNT1 O60563 6/20 0.35
CDK9 P50750 6/20 0.35
PSEN1 P49768 1/20 0.35

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
SCHEMBL15212567 0.91 SYK (0.58) SYKEIF2AK4CDK2TTKCCNA2
SCHEMBL15210500 0.81 SYK (0.56) SYKEIF2AK4CDK2TTKCCNA2
SCHEMBL15221173 0.80 SYK (0.60) SYKEIF2AK4CDK2TTKCCNA2
SCHEMBL15212574 0.80 SYK (0.58) SYKEIF2AK4CDK2TTKCCNA2
SCHEMBL15210473 0.80 SYK (0.59) SYKEIF2AK4CDK2TTKCCNA2
SCHEMBL15210467 0.79 SYK (0.58) SYKEIF2AK4CDK2TTKCCNA2
SCHEMBL19202 0.79 PSEN1 (0.46) SYKEIF2AK4SLC2A1PSEN1PSEN2
SCHEMBL15207760 0.78 SYK (0.56) SYKEIF2AK4CDK2TTKCCNA2
SCHEMBL15210725 0.78 SYK (0.56) SYKEIF2AK4CDK2TTKCCNA2
SCHEMBL15210746 0.78 CCNA2 (0.62) SYKEIF2AK4CDK2TTKCCNA2

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