SCHEMBL27367880

SCHEMBL27367880

CNC(=O)c1c(N)ccnc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.48
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM5A P29375 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
PLK1 P53350 1/20 0.34
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
EGFR P00533 1/20 0.33
JAK1 P23458 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL30634905 0.81 PTPN11 (0.47) PTPN11HTTHSD17B10KDM5APIK3C3
SCHEMBL26619022 0.81 PTPN11 (0.47) PTPN11HTTHSD17B10KDM5APIK3C3
SCHEMBL24073373 0.78 PTPN11 (0.44) PTPN11HTTHSD17B10PIK3C3PLK1
SCHEMBL28002669 0.72 SCN10A (0.41) PTPN11HSD17B10HDAC2HDAC3HDAC1
SCHEMBL4828173 0.71 PTPN11 (0.48) PTPN11PIK3C3PLK1CFTRPRKCI
SCHEMBL24073025 0.71 PTPN11 (0.44) PTPN11HSD17B10PLK1HDAC2HDAC8
SCHEMBL7458267 0.68 MAPT (0.38) PTPN11HTTHSD17B10PLK1HDAC2
SCHEMBL2067728 0.68 PTPN11 (0.41) PTPN11CDC7DBF4HTTKDM5A
SCHEMBL28052540 0.67 YTHDC1 (0.37) CDC7DBF4KDM5APLK1HDAC2
SCHEMBL2061352 0.67 CD44 (0.43) HSD17B10PLK1HDAC8HDAC6EGFR

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-2024064316-A1 COMPOUNDS AND COMPOSITIONS AS SMARCA2/4 INHIBITORS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-03-28 WO disclosed