SCHEMBL28614006

SCHEMBL28614006

COc1cc(-c2nn(-c3ccc(F)cc3)c(N)c2-c2ccc(SC)cc2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.54
▸ KDR P35968 8/20 0.54
▸ SRC P12931 7/20 0.54
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FYN P06241 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RIPK2 O43353 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ TNK2 Q07912 1/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ MINK1 Q8N4C8 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38

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
SCHEMBL28624086 0.90 SRC (0.53) BRAFKDRSRCPOLBFYN
SCHEMBL28234718 0.88 BRAF (0.70) BRAFKDRSRCMEN1POLB
SCHEMBL28624700 0.85 BRAF (0.54) BRAFKDRSRCMEN1POLB
SCHEMBL28615911 0.83 BRAF (0.58) BRAFKDRSRCMEN1POLB
SCHEMBL28631641 0.82 CYP1A1 (0.43) KDRSRCEGFRTUBB4ATUBB
SCHEMBL28616736 0.82 SRC (0.60) BRAFKDRSRCPOLBFYN
SCHEMBL28620697 0.81 POLB (0.48) BRAFKDRSRCMEN1POLB
SCHEMBL28616407 0.79 RIPK2 (0.44) KDRSRCSMN1; SMN2RIPK2EGFR
SCHEMBL28624090 0.77 SRC (0.55) BRAFKDRSRCMEN1POLB
SCHEMBL28614008 0.76 BRAF (0.47) BRAFKDRSRCMEN1POLB

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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