SCHEMBL19970672

SCHEMBL19970672

CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCCC5C(N)=O)nccn4n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 6/20 0.46
▸ EIF2AK4 Q9P2K8 1/20 0.46
▸ CAMK1D Q8IU85 2/20 0.41
▸ ACVR1 Q04771 1/20 0.39
▸ ULK1 O75385 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ JAK2 O60674 6/20 0.35
▸ JAK1 P23458 5/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ CCNE2 O96020 2/20 0.34
▸ IGF1R P08069 2/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34

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
SCHEMBL15210788 1.00 SYK (0.46) SYKEIF2AK4CAMK1DACVR1ULK1
SCHEMBL16394835 0.93 SYK (0.46) SYKEIF2AK4CAMK1DULK1LCK
SCHEMBL16394841 0.93 SYK (0.46) SYKEIF2AK4CAMK1DULK1LCK
SCHEMBL19970667 0.89 SYK (0.48) SYKEIF2AK4CAMK1DULK1LCK
SCHEMBL19970666 0.89 SYK (0.48) SYKEIF2AK4CAMK1DULK1LCK
SCHEMBL15210775 0.88 SYK (0.46) SYKEIF2AK4CAMK1DLCKBRAF
SCHEMBL15212842 0.87 SYK (0.45) SYKEIF2AK4CAMK1DLCKBRAF
SCHEMBL16394610 0.87 SYK (0.46) SYKEIF2AK4CAMK1DACVR1LCK
SCHEMBL15221155 0.87 SYK (0.46) SYKEIF2AK4CAMK1DACVR1LCK
SCHEMBL15210555 0.87 SYK (0.47) SYKEIF2AK4CAMK1DLCKBRAF

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 2 patents. 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
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
Send feedback