SCHEMBL28616407

SCHEMBL28616407

COc1cc(-c2nn(C(C)(C)C)c(N)c2-c2ccc(SC)cc2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 2/20 0.44
▸ SRC P12931 4/20 0.41
▸ ABL1 P00519 3/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ HCK P08631 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ MTOR P42345 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ EPHB4 P54760 2/20 0.41
▸ PRKDC P78527 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL28624694 0.88 SRC (0.48) RIPK2SRCABL1PIK3CDEGFR
SCHEMBL28631641 0.85 CYP1A1 (0.43) SRCABL1PIK3CDEGFRHCK
SCHEMBL28624086 0.82 SRC (0.53) SRCKDRHPGDSMN1; SMN2CYP1A1
SCHEMBL28616734 0.82 SRC (0.48) RIPK2SRCABL1PIK3CDEGFR
SCHEMBL28922043 0.82 PAX8 (0.45) RIPK2SRCABL1PIK3CDEGFR
SCHEMBL28614006 0.79 BRAF (0.54) RIPK2SRCEGFRKDRSMN1; SMN2
SCHEMBL28624707 0.75 RIPK2 (0.46) RIPK2SRCABL1PIK3CDEGFR
SCHEMBL28616410 0.75 RIPK2 (0.40) RIPK2SRCABL1PIK3CDEGFR
SCHEMBL28612774 0.73 TUBB4A (0.49) SRCKDRHPGDSMN1; SMN2TUBB4A
SCHEMBL8310316 0.72 ADORA2A (0.51) RIPK2SRCABL1PIK3CDEGFR

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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