SCHEMBL21593664

SCHEMBL21593664

CCCc1cnc(Cl)nc1NC1CCC(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ AXL P30530 1/20 0.39
▸ ADORA3 P0DMS8 7/20 0.36
▸ ADORA2A P29274 5/20 0.36
▸ ADORA1 P30542 5/20 0.36
▸ BTK Q06187 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ PIM1 P11309 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ YTHDC1 Q96MU7 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ GAS6 Q14393 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
SCHEMBL21593677 0.85 KMT2A (0.59) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL21593660 0.83 KMT2A (0.44) KMT2AAXLFLT3TYRO3MERTK
SCHEMBL21593667 0.77 KMT2A (0.46) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL13649056 0.77 KMT2A (0.48) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL28313535 0.77 KMT2A (0.62) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL21593576 0.77 KMT2A (0.48) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL20330316 0.76 KMT2A (0.47) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL30736404 0.75 NR2F2 (0.52) KMT2AMEN1
SCHEMBL20299337 0.75 NR2F2 (0.52) KMT2AMEN1
SCHEMBL26179066 0.75 MAPK1 (0.47) KMT2AAXLFLT3TYRO3MERTK

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
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