SCHEMBL12469573

SCHEMBL12469573

Nc1ccc(-c2ccc(C(=O)NCCO)c3c2CNC3=O)c(F)c1.Nc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.40
BTK Q06187 11/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KDR P35968 2/20 0.34
FLT3 P36888 1/20 0.34
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
MAPK14 Q16539 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
SCHEMBL12469508 0.89 BTK (0.40) BTKKDRFLT3
SCHEMBL12469540 0.89 L3MBTL1 (0.40) BTKALDH1A1
SCHEMBL12469038 0.89 PARP1 (0.40) BTKALDH1A1HTTKDRPDGFRB
SCHEMBL12469581 0.87 CACNA1G (0.43) KDRPDGFRBKIT
SCHEMBL12469562 0.86 BTK (0.42) BTKALOX5APFEN1KDRFLT3
SCHEMBL12469295 0.86 SMYD2 (0.41) ALDH1A1KDRPDGFRBKIT
SCHEMBL12469512 0.85 CRBN (0.41) BTKALOX5APFEN1ALDH1A1
SCHEMBL12469574 0.85 BCL3 (0.49) MAPK14
SCHEMBL12469505 0.84 BTK (0.41) BTKKDRFLT3MAPK14
SCHEMBL12469678 0.84 KMT2A (0.50) ALDH1A1

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