SCHEMBL901564

SCHEMBL901564

O=C(O)N1CC=C(c2cc(-c3cc([N+](=O)[O-])cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.42
CDK9 P50750 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 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
SCHEMBL901565 1.00 KARS1 (0.42) KARS1CDK9GSK3BDYRK1APOLB
SCHEMBL10269155 0.89 WNT3A (0.43) KARS1CDK9
SCHEMBL901761 0.86 KARS1 (0.54) KARS1CDK9GSK3BDYRK1ANAMPT
SCHEMBL901842 0.81 KARS1 (0.54) KARS1DYRK1APOLB
SCHEMBL901840 0.81 KARS1 (0.54) KARS1DYRK1APOLB
SCHEMBL901948 0.79 KARS1 (0.46) KARS1CDK9NAMPT
SCHEMBL901370 0.77 KARS1 (0.45) KARS1KMT2A
SCHEMBL901369 0.77 KARS1 (0.45) KARS1KMT2A
SCHEMBL1704842 0.76 KARS1 (0.52) KARS1CDK9NAMPT
SCHEMBL901813 0.75 ALDH1A1 (0.40) KARS1POLBKMT2A

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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed