SCHEMBL23732813

SCHEMBL23732813

Cc1ccc(-c2cnc(N)c(CO)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.48
ACVR2A P27037 1/20 0.45
TGFBR2 P37173 1/20 0.45
USP7 Q93009 1/20 0.43
NOS1 P29475 1/20 0.43
MAPKAPK2 P49137 2/20 0.42
MAP4K4 O95819 1/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PPARG P37231 2/20 0.39
MCL1 Q07820 2/20 0.39
NR2E3 Q9Y5X4 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
POLB P06746 1/20 0.39
LTA4H P09960 1/20 0.39
LRRK2 Q5S007 3/20 0.38
HPGD P15428 1/20 0.38
PTK2B Q14289 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL20899594 0.83 MAPKAPK2 (0.57) ATRMAPKAPK2
SCHEMBL5960151 0.79 ATR (0.50) ATRACVR2ATGFBR2NOS1MAPKAPK2
SCHEMBL12198520 0.78 ATR (0.49) ATRACVR2ATGFBR2NOS1MAPKAPK2
SCHEMBL23732500 0.78 ATR (0.50) ATRACVR2ATGFBR2NOS1KDM4E
SCHEMBL24248209 0.75 ATR (0.39) ATRACVR2ATGFBR2MAPKAPK2LRRK2
SCHEMBL12198422 0.75 ATR (0.48) ATRACVR2ATGFBR2NOS1KDM4E
SCHEMBL23703155 0.74 ATR (0.64) ATRACVR2ATGFBR2
SCHEMBL24549472 0.73 MAPKAPK2 (0.59) ATRMAPKAPK2MAP4K4
SCHEMBL18895999 0.73 ATR (0.64) ATRACVR2ATGFBR2
SCHEMBL23703073 0.73 ATR (0.67) ATRACVR2ATGFBR2MAP4K4

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-2021155004-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 WO disclosed