SCHEMBL28839385

SCHEMBL28839385

COC(=O)C(C)c1ccc2c(ccn2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
MT-CO2 P00403 1/20 0.45
PTGS2 P35354 4/20 0.44
PTGS1 P23219 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6487655 0.83 AKR1C3 (0.51) PTGS2PTGS1CYP2A6PRKCIAKR1C3
SCHEMBL31036107 0.77 PRKCI (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4399974 0.77 PRKCI (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12739124 0.74 PRKCI (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12714064 0.74 PRKCI (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12714069 0.74 PRKCI (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1916187 0.74 PRKCI (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30238828 0.74 PRKCI (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28458599 0.74 PRKCI (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL108632 0.73 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-115073426-A Pyrimidine heterocyclic compound and preparation method and application thereof 上海科州药物研发有限公司 2022-09-20 CN disclosed