SCHEMBL8206063

SCHEMBL8206063

Nc1ncc(Cl)c(NC2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
BCL6 P41182 1/20 0.47
HPGDS O60760 2/20 0.43
CHUK O15111 1/20 0.41
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
CTSC P53634 1/20 0.40
AXL P30530 1/20 0.40
CDK2 P24941 1/20 0.40
NUDT1 P36639 1/20 0.40
LATS1 O95835 1/20 0.39
TP53 P04637 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MAPK3 P27361 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
ULK1 O75385 1/20 0.38
INSR P06213 1/20 0.38
ALK Q9UM73 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
SCHEMBL28151137 0.97 BCL6 (0.47) KMT2ABCL6HPGDSCHUKJAK1
SCHEMBL28151054 0.93 BCL6 (0.50) KMT2ABCL6JAK1TYK2CTSC
SCHEMBL1934159 0.83 KMT2A (0.69) KMT2AHPGDSCTSCAXLLATS1
SCHEMBL1937546 0.81 KMT2A (0.71) KMT2AHPGDSCTSCAXLLATS1
SCHEMBL1976350 0.81 LATS1 (0.56) KMT2AAXLLATS1
SCHEMBL1977604 0.80 HPGDS (0.43) KMT2AHPGDSCHUKJAK1TYK2
SCHEMBL12556630 0.80 JAK1 (0.59) KMT2AHPGDSCHUKJAK1TYK2
SCHEMBL993784 0.79 KMT2A (0.64) KMT2AHPGDSCTSCAXLLATS1
SCHEMBL19174514 0.79 KMT2A (0.68) KMT2ABCL6HPGDSCHUKJAK1
SCHEMBL31403169 0.79 JAK1 (0.57) KMT2AHPGDSCHUKJAK1TYK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341145-B Chemical compound 博拉公司 2024-08-16 CN disclosed
CN-114341145-A Chemical compound 博拉公司 2022-04-12 CN disclosed
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed