SCHEMBL27745009

SCHEMBL27745009

C[C@H](CC(=N)C(=O)c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)cc1)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.36
CDK7 P50613 2/20 0.35
SYK P43405 1/20 0.35
ITK Q08881 6/20 0.35
PIM3 Q86V86 2/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CCNH P51946 1/20 0.33
KDR P35968 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
ROCK2 O75116 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
SCHEMBL27744978 1.00 BRAF (0.36) BRAFCDK7SYKITKPIM3
SCHEMBL2934019 0.78 BRAF (0.47) BRAFSYKITKGSK3B
Acetic Acid SCHEMBL2933253 0.76 BRAF (0.47) BRAFSYKITK
SCHEMBL2933256 0.76 BRAF (0.57) BRAFITK
SCHEMBL2932836 0.75 ITK (0.41) BRAFITKKDR
SCHEMBL2929169 0.73 ATR (0.47) SYKCDK2KDR
SCHEMBL2930294 0.73 ATR (0.47) SYKCDK2KDR
SCHEMBL2928571 0.73 BTK (0.53) BRAFROCK2
SCHEMBL27759874 0.73
Acetic Acid SCHEMBL2934985 0.72 BTK (0.52) BRAF

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
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN claimed
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN disclosed