SCHEMBL28616410

SCHEMBL28616410

COc1cc(-c2nn(C(C)(C)C)c(N)c2-c2ccc(C)cc2S)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 3/20 0.40
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SRC P12931 4/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ TUBB4A P04350 2/20 0.37
▸ TUBB P07437 2/20 0.37
▸ TUBA3C P0DPH7 2/20 0.37
▸ TUBA1B P68363 2/20 0.37
▸ TUBA4A P68366 2/20 0.37
▸ TUBB4B P68371 2/20 0.37
▸ TUBB3 Q13509 2/20 0.37
▸ TUBB2A Q13885 2/20 0.37
▸ TUBB8 Q3ZCM7 2/20 0.37
▸ TUBA3E Q6PEY2 2/20 0.37
▸ TUBA1A Q71U36 2/20 0.37
▸ TUBA1C Q9BQE3 2/20 0.37
▸ TUBB6 Q9BUF5 2/20 0.37
▸ TUBB2B Q9BVA1 2/20 0.37
▸ TUBB1 Q9H4B7 2/20 0.37

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
SCHEMBL28631644 0.86 CHEK1 (0.38) SRCABL1TUBB4ATUBBTUBA3C
SCHEMBL28624088 0.83 PTGS2 (0.44) HPGDSMN1; SMN2SRCTUBB4ATUBB
SCHEMBL28614008 0.81 BRAF (0.47) SMN1; SMN2SRCTUBB4ATUBBTUBA3C
SCHEMBL28624694 0.78 SRC (0.48) RIPK2HPGDSMN1; SMN2SRCABL1
SCHEMBL28616407 0.75 RIPK2 (0.44) RIPK2HPGDSMN1; SMN2SRCABL1
SCHEMBL28922043 0.75 PAX8 (0.45) RIPK2SMN1; SMN2SRCABL1TUBB4A
SCHEMBL28616734 0.73 SRC (0.48) RIPK2SRCABL1TUBB4ATUBB
SCHEMBL28624707 0.73 RIPK2 (0.46) RIPK2SRCABL1TUBB4ATUBB
SCHEMBL8310316 0.70 ADORA2A (0.51) RIPK2HPGDSRCABL1TUBB4A
SCHEMBL8355956 0.69 RIPK2 (0.71) RIPK2SRCKDR

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
Send feedback