SCHEMBL21593677

SCHEMBL21593677

CCCc1cnc(Cl)nc1NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.59
▸ AXL P30530 2/20 0.52
▸ ADORA3 P0DMS8 3/20 0.41
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ FLT3 P36888 3/20 0.38
▸ TYRO3 Q06418 3/20 0.38
▸ MERTK Q12866 3/20 0.38
▸ GAS6 Q14393 3/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28313535 0.89 KMT2A (0.62) KMT2AAXLADORA3PDE4AADORA2A
SCHEMBL21593660 0.86 KMT2A (0.44) KMT2AAXLFLT3TYRO3MERTK
SCHEMBL21593664 0.85 KMT2A (0.43) KMT2AAXLADORA3FLT3TYRO3
SCHEMBL6424706 0.81 KMT2A (0.60) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL21593571 0.78 KMT2A (0.68) KMT2AAXLPDE4APDE4BPDE4C
SCHEMBL1937546 0.77 KMT2A (0.71) KMT2AAXLADORA3PDE4AADORA2A
SCHEMBL22348506 0.77 KMT2A (0.55) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL2816614 0.76 KMT2A (0.51) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL13812813 0.76 KMT2A (0.65) KMT2AAXLADORA3PDE4APDE4B
SCHEMBL1934159 0.76 KMT2A (0.69) KMT2AAXLADORA3PDE4AADORA2A

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
Send feedback