SCHEMBL21593636

SCHEMBL21593636

CNc1cnc(Cl)nc1NC1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
MERTK Q12866 9/20 0.44
TYRO3 Q06418 8/20 0.44
AXL P30530 5/20 0.44
FLT3 P36888 5/20 0.39
GAS6 Q14393 5/20 0.39
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
EGFR P00533 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPK8 P45983 3/20 0.38
MAPK9 P45984 2/20 0.38
MAPK3 P27361 2/20 0.37

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
SCHEMBL5177285 0.87 KMT2A (0.61) KMT2AAXLADORA1ADORA3
SCHEMBL20330322 0.83 KMT2A (0.45) KMT2AAXLMAPK8MAPK9MAPK3
SCHEMBL20329963 0.83 MAPK1 (0.48) KMT2ATYRO3AXLMAPK3
SCHEMBL21593676 0.83 KMT2A (0.47) KMT2AMERTKTYRO3AXLFLT3
SCHEMBL21593661 0.82 KMT2A (0.49) KMT2AMERTKTYRO3AXLFLT3
SCHEMBL21593667 0.82 KMT2A (0.46) KMT2AAXLADORA1ADORA3MAPK3
SCHEMBL16429050 0.80 KMT2A (0.47) KMT2AMERTKTYRO3AXLFLT3
SCHEMBL16429049 0.80 KMT2A (0.47) KMT2AMERTKTYRO3AXLFLT3
SCHEMBL13649033 0.79 KMT2A (0.49) KMT2AMERTKTYRO3AXLFLT3
SCHEMBL16438333 0.79 KMT2A (0.49) KMT2AMERTKTYRO3AXLFLT3

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