SCHEMBL21593637

SCHEMBL21593637

Cc1cnc(Cl)nc1NC1(C)CCC(O)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.34
▸ LATS1 O95835 3/20 0.33
▸ LATS2 Q9NRM7 3/20 0.33
▸ CHRM4 P08173 2/20 0.32
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ SMO Q99835 1/20 0.30

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
SCHEMBL21593630 0.85 KMT2A (0.33) KMT2ALATS1LATS2AXLMAPK8
SCHEMBL21593590 0.84 KMT2A (0.33) KMT2ALATS1LATS2CHRM4AXL
SCHEMBL20330481 0.82 MAPK8 (0.37) KMT2ALATS1LATS2MAPK8MAPK9
SCHEMBL21593670 0.81 AURKA (0.33) KMT2ALATS1LATS2
SCHEMBL20329968 0.79 SYK (0.46) KMT2A
SCHEMBL30736504 0.79 SYK (0.46) KMT2A
SCHEMBL21593661 0.75 KMT2A (0.49) KMT2AGSK3AGSK3BAXLMAPK8
SCHEMBL28313531 0.73 GNRHR (0.34) LATS1LATS2
SCHEMBL25812072 0.71 LATS1 (0.35) KMT2ALATS1LATS2CHRM4
SCHEMBL17168786 0.70 LATS1 (0.36) KMT2ALATS1LATS2CHRM4

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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