SCHEMBL12469425

SCHEMBL12469425

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

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.68
FLT3 P36888 1/20 0.60
SLC22A12 Q96S37 1/20 0.38
HDAC4 P56524 1/20 0.38
KDR P35968 2/20 0.37
TTR P02766 1/20 0.35
CSF1R P07333 2/20 0.34
PDGFRB P09619 1/20 0.33

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
SCHEMBL12469427 0.85 BTK (0.67) BTKFLT3HDAC4KDRCSF1R
SCHEMBL12469187 0.83 BTK (0.47) BTKFLT3SLC22A12KDR
SCHEMBL1292374 0.82 BTK (0.84) BTKFLT3KDR
SCHEMBL17218915 0.81 BTK (1.00) BTKFLT3KDRCSF1R
SCHEMBL29897289 0.81 BTK (1.00) BTKFLT3KDRCSF1R
SCHEMBL1292714 0.80 BTK (0.73) BTKFLT3KDR
SCHEMBL1292655 0.80 BTK (0.88) BTKFLT3KDR
SCHEMBL12469475 0.80 BTK (0.46) BTKFLT3SLC22A12KDRTTR
SCHEMBL12469266 0.80 BTK (0.47) BTKFLT3SLC22A12KDRCSF1R
SCHEMBL12469286 0.79 BTK (0.47) BTKFLT3SLC22A12KDRTTR

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