SCHEMBL26089350

SCHEMBL26089350

CC(C)(O)C#Cc1ncc(Br)cc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.41
TTBK1 Q5TCY1 1/20 0.37
RAF1 P04049 4/20 0.37
CCR5 P51681 1/20 0.36
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C3 P42330 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
BRAF P15056 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 1/20 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
SCHEMBL30378526 1.00 MAP3K14 (0.41) MAP3K14TTBK1RAF1CCR5HSD17B10
SCHEMBL24312573 0.85 MAP3K14 (0.41) MAP3K14TTBK1RAF1ALDH1A1MAPT
SCHEMBL29567366 0.85 MAP3K14 (0.41) MAP3K14TTBK1RAF1ALDH1A1MAPT
SCHEMBL24318087 0.83 RAF1 (0.41) RAF1CCR5KMT2AAKR1C3ALDH1A1
SCHEMBL30378778 0.82 CCR5 (0.39) RAF1CCR5KMT2AAKR1C3ALDH1A1
SCHEMBL26087675 0.82 CCR5 (0.39) RAF1CCR5KMT2AAKR1C3ALDH1A1
SCHEMBL16094628 0.77 MAPK1 (0.44) RAF1CCR5HSD17B10KMT2AALDH1A1
SCHEMBL30378293 0.77 CCR5 (0.41) RAF1CCR5HSD17B10KMT2AAKR1C3
SCHEMBL26089341 0.77 CCR5 (0.41) RAF1CCR5HSD17B10KMT2AAKR1C3
SCHEMBL16094963 0.72 CCR5 (0.43) CCR5HSD17B10KMT2AAKR1C3ALDH1A1

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
WO-2023070053-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2023-04-27 WO disclosed
WO-2023070053-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2023-04-27 WO disclosed