SCHEMBL12469435

SCHEMBL12469435

Cc1nnc(-c2ccc(-c3ccc(N)cc3F)c3c2C(=O)NC3)[nH]1.Nc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.45
FLT3 P36888 1/20 0.41
KDR P35968 1/20 0.34
BRD4 O60885 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CSF1R P07333 1/20 0.33
GRM2 Q14416 1/20 0.32
PDE7A Q13946 1/20 0.32
KIT P10721 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL12469532 0.83 BTK (0.42) BTKFLT3KDRBRD4PIM1
SCHEMBL12469700 0.82 BTK (0.40) BTKFLT3KDRPIM1PIM2
SCHEMBL12469667 0.82 BTK (0.43) BTKFLT3PIM1PIM2GRM2
SCHEMBL12469409 0.82 BTK (0.43) BTKFLT3KDRBRD4PIM1
SCHEMBL12469665 0.82 BTK (0.46) BTKFLT3KDRPIM1PIM2
SCHEMBL12469863 0.82 BTK (0.42) BTKFLT3PIM1PIM2GRM2
SCHEMBL12469609 0.81 BTK (0.39) BTKFLT3KDRCSF1RGRM2
SCHEMBL12469588 0.80 BTK (0.43) BTKFLT3PIM1PIM2CSF1R
SCHEMBL12469585 0.80 BTK (0.45) BTKFLT3CSF1RPDE7A
SCHEMBL12469427 0.80 BTK (0.67) BTKFLT3KDRPIM1PIM2

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