SCHEMBL21593670

SCHEMBL21593670

CCCc1cnc(Cl)nc1NC1(C)CCC(O)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.33
▸ KMT2A Q03164 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
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ LATS1 O95835 1/20 0.30
▸ LATS2 Q9NRM7 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
SCHEMBL21593637 0.81 KMT2A (0.34) KMT2ALATS1LATS2
SCHEMBL21593630 0.80 KMT2A (0.33) KMT2ALATS1LATS2
SCHEMBL21593590 0.79 KMT2A (0.33) KMT2ATYRO3MERTKLATS1LATS2
SCHEMBL21593660 0.79 KMT2A (0.44) KMT2AFLT3TYRO3MERTKGAS6
SCHEMBL20330481 0.77 MAPK8 (0.37) KMT2AFLT3TYRO3MERTKGAS6
SCHEMBL20329968 0.76 SYK (0.46) KMT2A
SCHEMBL30736504 0.76 SYK (0.46) KMT2A
SCHEMBL21593677 0.70 KMT2A (0.59) KMT2AFLT3TYRO3MERTKGAS6
SCHEMBL21593664 0.68 KMT2A (0.43) AURKAKMT2AFLT3TYRO3MERTK
SCHEMBL17168786 0.66 LATS1 (0.36) KMT2ALATS1LATS2

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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