SCHEMBL24709786

SCHEMBL24709786

Cc1nc2cc(C#N)cc(C)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.34
CSNK1A1 P48729 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G2 P78368 1/20 0.34
XDH P47989 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
FASN P49327 2/20 0.31
PARP1 P09874 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31

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
SCHEMBL15812731 0.84 CSNK1A1 (0.33) CSNK1DCSNK1A1GSK3BCSNK1G2XDH
SCHEMBL21263286 0.83 PARP1 (0.34) CSNK1DCSNK1A1GSK3BCSNK1G2XDH
SCHEMBL25054312 0.83 ALDH1A1 (0.38) CSNK1DCSNK1A1GSK3BCSNK1G2XDH
SCHEMBL24709841 0.83 XDH (0.38) CSNK1DCSNK1A1GSK3BCSNK1G2XDH
SCHEMBL21879804 0.80 CFB (0.38)
SCHEMBL9754821 0.78 ADORA1 (0.36) ALDH1A1ADORA3
SCHEMBL5850166 0.75 PARP1 (0.43) ALDH1A1ADORA3PARP1
SCHEMBL21263175 0.72 TYMS (0.38) ALDH1A1ADORA3PARP1
SCHEMBL16801763 0.72 NQO2 (0.42) GSK3BALDH1A1ADORA3PARP1
SCHEMBL13544179 0.72 ALDH1A1 (0.47) ALDH1A1ADORA3PARP1

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-2022261221-A1 NON-PEPTIDE TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-12-15 WO disclosed