SCHEMBL24865685

SCHEMBL24865685

CN1Cc2cc(Nc3ccc(N4CCC(C(F)(F)F)C4)cc3)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.43
FLT3 P36888 2/20 0.43
MKNK1 Q9BUB5 1/20 0.40
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
CHEK1 O14757 1/20 0.37
BCL6 P41182 2/20 0.36
PTK6 Q13882 1/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
APP P05067 4/20 0.33
AR P10275 1/20 0.33
UGCG Q16739 3/20 0.33
PRF1 P14222 1/20 0.33
WEE1 P30291 1/20 0.33
CNR2 P34972 2/20 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
SCHEMBL30336555 1.00 KIT (0.43) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL24865537 0.95 KIT (0.43) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL30336441 0.95 KIT (0.43) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL24865514 0.94 KIT (0.44) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL24865651 0.85 DDB1 (0.44) KITFLT3MKNK1BCL6DDB1
SCHEMBL30885148 0.82 KIT (0.43) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL24865331 0.82 KIT (0.43) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL24865372 0.82 MKNK1 (0.44) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL24865396 0.82 MKNK1 (0.42) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL30336295 0.82 MKNK1 (0.42) KITFLT3MKNK1PIK3CAMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed