SCHEMBL12469609

SCHEMBL12469609

Cc1nnc(-c2ccc(-c3ccc(N)cc3F)c3c2C(=O)NC3)o1.Nc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.39
FLT3 P36888 1/20 0.35
KDR P35968 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CSF1R P07333 1/20 0.32
GRM2 Q14416 1/20 0.32
UGCG Q16739 2/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL12469647 0.82 BTK (0.38) BTKFLT3PDE3BPDE3AGRM2
SCHEMBL12469435 0.81 BTK (0.45) BTKFLT3KDRPDE3BPDE3A
SCHEMBL12469532 0.78 BTK (0.42) BTKFLT3KDRPDE3BPDE3A
SCHEMBL12469593 0.78 BTK (0.44) BTKKDRPDE3BPDE3AGRM2
SCHEMBL12469700 0.78 BTK (0.40) BTKFLT3KDRPDE3BPDE3A
SCHEMBL12469667 0.77 BTK (0.43) BTKFLT3PDE3BPDE3AGRM2
SCHEMBL12469271 0.76 NISCH (0.43) BTKGRM2
SCHEMBL12469665 0.75 BTK (0.46) BTKFLT3KDRCSF1RGRM2
SCHEMBL21939245 0.75 NOTUM (0.43)
SCHEMBL12469863 0.75 BTK (0.42) BTKFLT3PDE3BPDE3AGRM2

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