SCHEMBL13136607

SCHEMBL13136607

CC(=O)c1ccnc(Nc2cccc(-c3ccc(C(C)=O)s3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 7/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SYK P43405 5/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL13136582 0.93 SYK (0.42) KARS1CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL13136586 0.92 ROCK1 (0.41) KARS1CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL2866365 0.91 ROCK1 (0.43) KARS1CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL2864883 0.88 KARS1 (0.56) KARS1SYKALDH1A1KDM4ELMNA
SCHEMBL2869691 0.87 SYK (0.51) KARS1CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL13136589 0.85 HDAC1 (0.50) CYP3A4CYP2A6CYP2C9CYP2C19HDAC1
SCHEMBL13136623 0.85 KARS1 (0.41) KARS1CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL2871454 0.85 KDR (0.47) KARS1CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL13136579 0.84 KARS1 (0.42) KARS1CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL13136585 0.84 IDH2 (0.41) KARS1CYP3A4CYP2A6CYP2C9CYP2C19

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
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed