SCHEMBL27745005

SCHEMBL27745005

Brc1cncc(-n2ccc3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
MAPT P10636 1/20 0.40
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
HTT P42858 2/20 0.39
CDC7 O00311 1/20 0.39

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
SCHEMBL16600098 0.81 BIRC5 (0.55) BIRC5MAPTPRKD3PRKCGPRKCB
SCHEMBL6190078 0.81 BIRC5 (0.60) BIRC5CHRNB2CHRNA4MAPTPRKD3
SCHEMBL26985600 0.80 CYP19A1 (0.43) BIRC5CHRNB2CHRNA4CDC7CDK2
SCHEMBL29373675 0.78 CHRNB2 (0.53) BIRC5CHRNB2CHRNA4MAPTCYP11B1
SCHEMBL6321218 0.78 BIRC5 (0.51) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL13166899 0.78 BIRC5 (0.55) BIRC5CHRNB2CHRNA4MAPTPRKD3
SCHEMBL2348013 0.76 BIRC5 (0.53) BIRC5CHRNB2CHRNA4MAPTPRKD3
SCHEMBL29725523 0.76 BIRC5 (0.53) BIRC5CHRNB2CHRNA4MAPTPRKD3
SCHEMBL29367108 0.75 BIRC5 (0.67) BIRC5MAPTPRKD3PRKCGPRKCB
SCHEMBL4464646 0.75 BIRC5 (0.67) BIRC5MAPTPRKD3PRKCGPRKCB

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