SCHEMBL28638013

SCHEMBL28638013

Brc1cccc2c1[nH]c1c(-c3ccccc3)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
FEN1 P39748 1/20 0.47
DYRK1B Q9Y463 2/20 0.46
CDK5 Q00535 2/20 0.46
FGFR1 P11362 2/20 0.46
KDR P35968 2/20 0.46
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
PDGFRA P16234 1/20 0.46
LTK P29376 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
LIMK1 P53667 1/20 0.46
ACVR1 Q04771 1/20 0.46
TNK2 Q07912 1/20 0.46
AURKB Q96GD4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CDK4 P11802 6/20 0.45
CCND1 P24385 6/20 0.45

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
SCHEMBL29539083 0.88 FEN1 (0.56) ALDH1A1MAPK1FEN1DYRK1BCDK5
SCHEMBL19893738 0.88 FEN1 (0.56) ALDH1A1MAPK1FEN1DYRK1BCDK5
SCHEMBL16442655 0.83 NR1H2 (0.41) ALDH1A1MAPK1FEN1DYRK1BCDK5
SCHEMBL29655384 0.82 PIM1 (0.55) DYRK1BCDK5FGFR1KDRAURKB
SCHEMBL1817707 0.82 PIM1 (0.55) DYRK1BCDK5FGFR1KDRAURKB
SCHEMBL16648226 0.78 L3MBTL1 (0.37) ALDH1A1MAPK1FEN1DYRK1BCDK5
SCHEMBL25481374 0.78 CDK4 (0.43) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL24037054 0.78 MAP4K4 (0.48) ALDH1A1MAPK1FEN1DYRK1BCDK5
SCHEMBL21709358 0.78 CDK4 (0.56) ALDH1A1MAPK1FEN1DYRK1BCDK5
SCHEMBL28644822 0.78 CYP2A6 (0.52) FEN1DYRK1BCDK5FGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372261-B Method for preparing 1-bromo/chloro carbazole and derivatives thereof 中国科学院兰州化学物理研究所 2023-06-27 CN disclosed
CN-113620811-B Halogenation method of aromatic compound 中国科学院兰州化学物理研究所 2022-05-24 CN disclosed
CN-113620811-A Halogenation method of aromatic compound 中国科学院兰州化学物理研究所 2021-11-09 CN disclosed
CN-113372261-A Method for preparing 1-bromine/chlorocarbazole and derivatives thereof 中国科学院兰州化学物理研究所 2021-09-10 CN disclosed