SCHEMBL27299487

SCHEMBL27299487

CC(C)c1ccc(CNc2ccccn2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
GPR39 O43194 2/20 0.47
CXCR4 P61073 1/20 0.46
FABP1 P07148 1/20 0.45
FABP6 P51161 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL18947190 0.82 NPSR1 (0.66) GAAPOLBL3MBTL1NPSR1KDM4E
SCHEMBL29580189 0.81 POLB (0.69) GAAPOLBL3MBTL1NPSR1KDM4E
SCHEMBL29579757 0.79 GAA (0.57) GAAPOLBL3MBTL1NPSR1KDM4E
SCHEMBL29579775 0.78 ALDH1A1 (0.65) GAAPOLBL3MBTL1NPSR1KDM4E
SCHEMBL14321086 0.76 GAA (0.53) GAAPOLBL3MBTL1NPSR1KDM4E
SCHEMBL14321655 0.76 GAA (0.53) GAAPOLBL3MBTL1NPSR1KDM4E
SCHEMBL22994911 0.75 CYP1A2 (0.49) KDM4EALDH1A1NPC1MEN1KMT2A
SCHEMBL29579974 0.73 POLB (0.74) GAAPOLBL3MBTL1NPSR1KDM4E
SCHEMBL14321211 0.72 GAA (0.42) GAAPOLBL3MBTL1NPSR1KDM4E
SCHEMBL14321212 0.72 GAA (0.42) GAAPOLBL3MBTL1NPSR1KDM4E

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-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed