SCHEMBL24865331

SCHEMBL24865331

CN1Cc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)c(F)c3)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.43
FLT3 P36888 2/20 0.43
MKNK1 Q9BUB5 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
CHEK1 O14757 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTK2 Q05397 1/20 0.36
MAPT P10636 2/20 0.35
UGCG Q16739 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
BTK Q06187 1/20 0.35
BRD4 O60885 2/20 0.35
PRF1 P14222 1/20 0.35
JAK2 O60674 1/20 0.35
CCNT1 O60563 1/20 0.34

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
SCHEMBL30885148 1.00 KIT (0.43) KITFLT3MKNK1KDM4EPIK3CA
SCHEMBL24865715 0.92 DDB1 (0.42) KITFLT3KDM4ENPC1RAB9A
SCHEMBL30885145 0.92 DDB1 (0.42) KITFLT3KDM4ENPC1RAB9A
SCHEMBL24865233 0.87 KIT (0.41) KITFLT3MKNK1
SCHEMBL24865514 0.86 KIT (0.44) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL30336555 0.82 KIT (0.43) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL24865685 0.82 KIT (0.43) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL24865651 0.78 DDB1 (0.44) KITFLT3MKNK1BRD4
SCHEMBL24865585 0.78 MKNK1 (0.41) KITFLT3MKNK1PIK3CAMTOR
SCHEMBL24865537 0.78 KIT (0.43) 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