SCHEMBL28624090

SCHEMBL28624090

COc1ccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(F)c3)c2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.55
▸ BRAF P15056 2/20 0.55
▸ KDR P35968 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PTGS2 P35354 3/20 0.44
▸ PAX8 Q06710 1/20 0.43
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 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
SCHEMBL28624700 0.92 BRAF (0.54) SRCBRAFKDRSMN1; SMN2POLB
SCHEMBL28616736 0.90 SRC (0.60) SRCBRAFKDRSMN1; SMN2NPC1
SCHEMBL28234718 0.89 BRAF (0.70) SRCBRAFKDRSMN1; SMN2NPC1
SCHEMBL28921643 0.83 PAX8 (0.47) SMN1; SMN2L3MBTL1NPC1POLBRAB9A
SCHEMBL28624086 0.83 SRC (0.53) SRCBRAFKDRSMN1; SMN2NPC1
SCHEMBL28616411 0.83 SRC (0.53) SRCBRAFKDRSMN1; SMN2NPC1
SCHEMBL28922043 0.82 PAX8 (0.45) SRCKDRSMN1; SMN2L3MBTL1NPC1
SCHEMBL28624711 0.80 PTGS2 (0.49) SRCBRAFKDRSMN1; SMN2NPC1
SCHEMBL28615911 0.80 BRAF (0.58) SRCBRAFKDRSMN1; SMN2NPC1
SCHEMBL28614006 0.77 BRAF (0.54) SRCBRAFKDRSMN1; SMN2POLB

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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