SCHEMBL28620697

SCHEMBL28620697

COc1cc(-c2nn(-c3ccc(F)cc3)c(N)c2Br)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SRC P12931 4/20 0.47
▸ BRAF P15056 4/20 0.47
▸ KDR P35968 4/20 0.47
▸ FYN P06241 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PTGS2 P35354 2/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40

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
SCHEMBL28624711 0.89 PTGS2 (0.49) POLBMEN1KMT2ASRCBRAF
SCHEMBL28234718 0.83 BRAF (0.70) POLBMEN1MAPTKMT2ASRC
SCHEMBL28624700 0.82 BRAF (0.54) POLBMEN1MAPTKMT2ASRC
SCHEMBL28614006 0.81 BRAF (0.54) POLBMEN1MAPTKMT2ASRC
SCHEMBL28233778 0.80 MEN1 (0.62) POLBMEN1MAPTKMT2AFYN
SCHEMBL28615911 0.79 BRAF (0.58) POLBMEN1MAPTKMT2ASRC
SCHEMBL28614008 0.78 BRAF (0.47) POLBMEN1MAPTKMT2ASRC
SCHEMBL28234764 0.77 PIK3CD (0.42) POLBMEN1MAPTKMT2ASRC
SCHEMBL28616736 0.76 SRC (0.60) POLBSRCBRAFKDRFYN
SCHEMBL28624090 0.75 SRC (0.55) POLBMEN1KMT2ASRCBRAF

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
CN-108409663-B Microtubule inhibitors, methods of preparation and uses thereof 成都威斯克生物医药有限公司 2021-09-03 — — CN disclosed
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