SCHEMBL12469475

SCHEMBL12469475

CCN(CC)Cc1[nH]c(-c2ccc(-c3ccc(C(N)=O)cc3F)c3c2C(=O)NC3)nc1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.46
FLT3 P36888 1/20 0.41
KDR P35968 1/20 0.33
TYK2 P29597 1/20 0.33
TTR P02766 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CSF1R P07333 1/20 0.31
PDE5A O76074 1/20 0.30

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
SCHEMBL12469479 0.88 BTK (0.44) BTKFLT3KDRCSF1R
SCHEMBL12469266 0.86 BTK (0.47) BTKFLT3KDRTYK2SLC22A12
SCHEMBL12469722 0.84 BTK (0.42) BTKFLT3CSF1R
SCHEMBL1292480 0.81 BTK (0.54) BTKFLT3KDR
SCHEMBL12469286 0.81 BTK (0.47) BTKFLT3KDRTTRSLC22A12
SCHEMBL12469425 0.80 BTK (0.68) BTKFLT3KDRTTRSLC22A12
SCHEMBL12468813 0.78 BTK (0.46) BTKFLT3KDRTTRSLC22A12
SCHEMBL12469500 0.78 BTK (0.42) BTKFLT3CSF1R
SCHEMBL12469187 0.77 BTK (0.47) BTKFLT3KDRSLC22A12
SCHEMBL1292735 0.76 BTK (0.54) BTKFLT3KDRPDE5A

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