SCHEMBL30068099

SCHEMBL30068099

COc1ccc(N)c(C(=O)N(C)C(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.39
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
TXNRD1 Q16881 1/20 0.34
PLAU P00749 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC4 P56524 1/20 0.33
AXL P30530 2/20 0.33
OXTR P30559 3/20 0.32
AVPR2 P30518 1/20 0.32
CLK1 P49759 1/20 0.32

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
SCHEMBL14358203 0.76 NNMT (0.54) NNMTPOLBTDP1MTNR1AMTNR1B
SCHEMBL3058519 0.76 TDP1 (0.51) NNMTPOLBTDP1MTNR1AMTNR1B
SCHEMBL31663021 0.74 NPSR1 (0.47) NNMTPOLBTDP1
SCHEMBL4257399 0.74 NPSR1 (0.47) NNMTPOLBTDP1
SCHEMBL30068228 0.73 CNR2 (0.34) NNMTPOLBTDP1HDAC4AXL
SCHEMBL21803183 0.73 MTNR1A (0.32) MTNR1AMTNR1BHDAC4
SCHEMBL31253850 0.72 NNMT (0.42) NNMTPOLBTDP1MTNR1AMTNR1B
SCHEMBL2541576 0.70 NNMT (0.36) NNMTPOLBTDP1PLAU
SCHEMBL2541573 0.70 NNMT (0.36) NNMTPOLBTDP1PLAU
SCHEMBL2541569 0.70 NNMT (0.36) NNMTPOLBTDP1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794529-A POLO-like kinase 4 inhibitors 欧瑞克制药公司 2024-03-29 CN disclosed
EP-4337198-A1 POLO LIKE KINASE 4 INHIBITORS Oric Pharmaceuticals, Inc. (US) 2024-03-20 EP disclosed
WO-2022240876-A1 POLO LIKE KINASE 4 INHIBITORS ORIC PHARMACEUTICALS, INC. (US) 2022-11-17 WO disclosed