SCHEMBL21593576

SCHEMBL21593576

Nc1cnc(Cl)nc1NC1CCC(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
AXL P30530 1/20 0.40
BTK Q06187 1/20 0.38
SYK P43405 2/20 0.36
PIM1 P11309 2/20 0.34
ADORA3 P0DMS8 8/20 0.33
ADORA2A P29274 5/20 0.33
ADORA1 P30542 5/20 0.33
CSNK1A1 P48729 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
PIK3CA P42336 1/20 0.32
CDK2 P24941 1/20 0.32
YTHDC1 Q96MU7 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
SCHEMBL19654457 0.88 KMT2A (0.55) KMT2AAXLSYKADORA3ADORA2A
SCHEMBL1783010 0.84 KMT2A (0.65) KMT2AAXLSYKADORA3ADORA2A
SCHEMBL12069200 0.83 KMT2A (0.68) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL13649056 0.82 KMT2A (0.48) KMT2AAXLBTKPIM1ADORA3
SCHEMBL20330316 0.81 KMT2A (0.47) KMT2AAXLBTKSYKPIM1
SCHEMBL21593675 0.81 KMT2A (0.49) KMT2AAXLBTKADORA3ADORA2A
SCHEMBL12067756 0.81 MAPK1 (0.50) KMT2AAXLBTKADORA3PIK3CA
SCHEMBL21593674 0.81 KMT2A (0.49) KMT2AAXLSYKADORA3ADORA2A
SCHEMBL1783841 0.81 KMT2A (0.49) KMT2AAXLCLK4
SCHEMBL21593667 0.80 KMT2A (0.46) KMT2AAXLBTKSYKPIM1

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-2019238929-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-12-19 WO disclosed