SCHEMBL12469286

SCHEMBL12469286

CNC(=O)c1[nH]c(-c2ccc(-c3ccc(C(N)=O)cc3F)c3c2C(=O)NC3)nc1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.47
FLT3 P36888 1/20 0.42
KDR P35968 2/20 0.38
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
SLC22A12 Q96S37 1/20 0.33
TTR P02766 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
SCHEMBL12469292 0.89 BTK (0.48) BTKFLT3KDR
SCHEMBL12469266 0.82 BTK (0.47) BTKFLT3KDRSLC22A12
SCHEMBL12468813 0.81 BTK (0.46) BTKFLT3KDRSLC22A12TTR
SCHEMBL12469475 0.81 BTK (0.46) BTKFLT3KDRSLC22A12TTR
SCHEMBL1292545 0.80 BTK (0.47) BTKFLT3KDR
SCHEMBL12469425 0.79 BTK (0.68) BTKFLT3KDRSLC22A12TTR
SCHEMBL1292716 0.79 BTK (0.48) BTKFLT3KDR
SCHEMBL12469187 0.77 BTK (0.47) BTKFLT3KDRSLC22A12
SCHEMBL1292504 0.77 BTK (0.48) BTKFLT3KDR
SCHEMBL1292372 0.76 BTK (0.48) 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