SCHEMBL25257551

SCHEMBL25257551

C[C@H]1COCCN1CCOc1ccc(-c2ccc(CC(=O)NCc3ccccc3F)nc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.51
TUBB4A P04350 5/20 0.51
TUBB P07437 5/20 0.51
TUBA3C P0DPH7 5/20 0.51
TUBA1B P68363 5/20 0.51
TUBA4A P68366 5/20 0.51
TUBB4B P68371 5/20 0.51
TUBB3 Q13509 5/20 0.51
TUBB2A Q13885 5/20 0.51
TUBB8 Q3ZCM7 5/20 0.51
TUBA3E Q6PEY2 5/20 0.51
TUBA1A Q71U36 5/20 0.51
TUBA1C Q9BQE3 5/20 0.51
TUBB6 Q9BUF5 5/20 0.51
TUBB2B Q9BVA1 5/20 0.51
TUBB1 Q9H4B7 5/20 0.51
ABL1 P00519 1/20 0.51
LYN P07948 1/20 0.51
BCR P11274 1/20 0.51
ALOX5AP P20292 1/20 0.41

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
SCHEMBL30590708 1.00 SRC (0.51) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30590700 1.00 SRC (0.51) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25304040 1.00 SRC (0.51) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25304044 1.00 SRC (0.51) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25304505 0.92 TUBB4A (0.61) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29059607 0.92 TUBB4A (0.61) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25304501 0.92 TUBB4A (0.61) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31264235 0.84 TUBB4A (0.62) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11917531 0.81 SRC (0.61) SRCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19863412 0.80 SRC (0.47) SRCTUBB4ATUBBTUBA3CTUBA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134752-A1 DIARYL COMPOUND AS TUBULIN/SRC DUAL TARGET INHIBITOR 武汉人福创新药物研发中心有限公司 2023-07-20 WO disclosed
CN-116444427-A Diaryl compounds for tubulin-SRC double-target inhibitor 武汉人福创新药物研发中心有限公司 2023-07-18 CN disclosed