SCHEMBL29224968

SCHEMBL29224968

CC1(NC(=O)OC(C)(C)C)CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.43
CASP6 P55212 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
RET P07949 5/20 0.40
RORC P51449 1/20 0.39
GPR119 Q8TDV5 5/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
ADRA2C P18825 1/20 0.39
PTK2B Q14289 1/20 0.39
ESR2 Q92731 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL20069300 0.87 SMN1; SMN2 (0.41) MAPTALDH1A1LMNARETRORC
SCHEMBL22650582 0.84 RET (0.42) MAPTALDH1A1LMNARETRORC
SCHEMBL12628008 0.83 RET (0.40) ALDH1A1LMNARETRORC
SCHEMBL22650345 0.83 RET (0.35) GFERCASP6RETRORCGAA
SCHEMBL20354566 0.81 GFER (0.54) GFERCASP6MAPTALDH1A1LMNA
SCHEMBL23122999 0.80 RET (0.39) RETRORC
SCHEMBL20069047 0.80 RET (0.44) MAPTALDH1A1LMNARETRORC
SCHEMBL22246083 0.78 RET (0.42) GFERCASP6RETGPR119KMT2A
SCHEMBL19701820 0.78 GPR119 (0.40) MAPTALDH1A1RETRORCGPR119
SCHEMBL20069024 0.78 GPR119 (0.55) RETGPR119HTTRAB9A

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-116514799-A Wee1 inhibitor, composition and application thereof 星希尔生物科技(上海)有限公司 2023-08-01 CN disclosed