SCHEMBL20144342

SCHEMBL20144342

Cc1cn(-c2ccc(NC(=O)c3ccc(C)c(C)c3)c(N)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB2 P29323 1/20 0.46
ABL1 P00519 3/20 0.45
BCR P11274 1/20 0.45
RAF1 P04049 1/20 0.45
MAPK13 O15264 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KIT P10721 4/20 0.43
DDR2 Q16832 3/20 0.43
PDGFRB P09619 3/20 0.43
LCK P06239 2/20 0.43
LYN P07948 2/20 0.43
PDGFRA P16234 2/20 0.43
FLT3 P36888 2/20 0.43
LDLR P01130 3/20 0.43
PCSK9 Q8NBP7 3/20 0.43

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
SCHEMBL15442438 0.91 EPHB2 (0.45) EPHB2ABL1BCRRAF1MAPK13
SCHEMBL16283149 0.88 MAPK13 (0.44) EPHB2ABL1BCRRAF1MAPK13
SCHEMBL12858730 0.77 LDLR (0.60) EPHB2ABL1BCRKITDDR2
SCHEMBL1824198 0.75 NR2E1 (0.43) MAPK13NR2E1
SCHEMBL3343040 0.75 NR2E1 (0.48) KMT2AMEN1RAB9AMAPTTDP1
SCHEMBL13659898 0.73 NR2E1 (0.77) EPHB2ABL1BCRKITPDGFRB
SCHEMBL4254144 0.71 NR2E1 (0.73) EPHB2ABL1BCRRAF1KIT
SCHEMBL15442444 0.70 NR2E1 (0.49) MAPK13TDP1NR2E1
SCHEMBL9701793 0.69 NR2E1 (0.48) RAB9AMAPTTDP1NPC1NR2E1
SCHEMBL3343037 0.69 PDE4A (0.44) MAPK13TDP1NR2E1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186247-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2021-03-03 EP disclosed
EP-2880038-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2018-05-16 EP disclosed