SCHEMBL12469481

SCHEMBL12469481

CC(C)NC(=O)c1ccc(-c2ccc(N)cc2F)c2c1C(=O)NC2.Nc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
BTK Q06187 11/20 0.40
KDR P35968 2/20 0.37
FLT3 P36888 1/20 0.36
EIF2S1 P05198 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
CRBN Q96SW2 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
SCHEMBL12469505 0.89 BTK (0.41) BTKKDRFLT3CRBNMAPK14
SCHEMBL12469562 0.89 BTK (0.42) BTKKDRFLT3CRBN
SCHEMBL12469508 0.86 BTK (0.40) BTKKDRFLT3
SCHEMBL12469765 0.84 AURKA (0.40) BTKKDRFLT3
SCHEMBL12469512 0.84 CRBN (0.41) BTKCRBN
SCHEMBL12469573 0.83 ALPL (0.40) BTKKDRFLT3MAPK14
SCHEMBL12469038 0.82 PARP1 (0.40) BTKKDRMAPK14
SCHEMBL10048588 0.82 BTK (0.44) BTKKDRFLT3MAPK14
SCHEMBL12469540 0.81 L3MBTL1 (0.40) BTK
SCHEMBL12469581 0.81 CACNA1G (0.43) KDR

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