SCHEMBL1292508

SCHEMBL1292508

Cc1cnc(-c2ccc(-c3ccc(NC(=O)Nc4cccc(N)c4)cc3F)c3c2C(=O)NC3)[nH]1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.81
FLT3 P36888 3/20 0.79
KDR P35968 8/20 0.56
PLK4 O00444 2/20 0.44
ROCK2 O75116 2/20 0.44
NTRK1 P04629 2/20 0.44
MET P08581 2/20 0.44
ROS1 P08922 2/20 0.44
RPS6KB1 P23443 2/20 0.44
EPHA2 P29317 2/20 0.44
AXL P30530 2/20 0.44
FLT4 P35916 2/20 0.44
FRK P42685 2/20 0.44
ROCK1 Q13464 2/20 0.44
NTRK2 Q16620 2/20 0.44
TAOK1 Q7L7X3 2/20 0.44
HIPK4 Q8NE63 2/20 0.44
AURKB Q96GD4 2/20 0.44
SRPK1 Q96SB4 2/20 0.44
SRMS Q9H3Y6 2/20 0.44

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
SCHEMBL1292303 0.92 BTK (0.84) BTKFLT3KDR
SCHEMBL1292731 0.92 BTK (0.84) BTKFLT3KDR
SCHEMBL1292450 0.90 BTK (0.79) BTKFLT3KDRPLK4ROCK2
SCHEMBL1292630 0.90 BTK (0.84) BTKFLT3KDR
SCHEMBL30098550 0.90 BTK (1.00) BTKFLT3KDRPLK4ROCK2
SCHEMBL17218629 0.90 BTK (1.00) BTKFLT3KDRPLK4ROCK2
SCHEMBL17218915 0.90 BTK (1.00) BTKFLT3KDRPLK4ROCK2
SCHEMBL29897289 0.90 BTK (1.00) BTKFLT3KDRPLK4ROCK2
SCHEMBL1292688 0.89 BTK (0.80) BTKFLT3KDR
SCHEMBL1292718 0.89 BTK (0.80) BTKFLT3KDR

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-2012047017-A2 2,3-DIHYDRO-ISOINDOL-1-ONE DERIVATIVE AND A COMPOSITION COMPRISING THE SAME 크리스탈지노믹스(주) (KR) 2012-04-12 WO disclosed