SCHEMBL30495148

SCHEMBL30495148

Cc1cc(Br)c2nc(-c3ccccc3F)n(C)c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
EGFR P00533 1/20 0.36
PTGES O14684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
DHODH Q02127 1/20 0.35
TP53 P04637 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL25358826 1.00 HSD11B1 (0.40) HSD11B1POLBMAPTEGFRPTGES
SCHEMBL30690334 0.86 EGFR (0.37) EGFRPTGESDHODH
SCHEMBL30495292 0.85 PTGES (0.51) HSD11B1MAPTPTGESALDH1A1TNKS
SCHEMBL25360457 0.85 PTGES (0.51) HSD11B1MAPTPTGESALDH1A1TNKS
SCHEMBL25362087 0.83 KMT2A (0.45) MAPTALDH1A1TP53TNKS2RAB9A
SCHEMBL25359367 0.82 DHODH (0.40) HSD11B1DHODH
SCHEMBL30494985 0.82 PTGES (0.37) EGFRPTGESALDH1A1
SCHEMBL25358018 0.82 PTGES (0.37) EGFRPTGESALDH1A1
SCHEMBL25359782 0.82 ADORA2B (0.43) EGFRALDH1A1ADORA2AADORA1
SCHEMBL30494909 0.82 ADORA2B (0.43) EGFRALDH1A1ADORA2AADORA1

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-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed