SCHEMBL28941048

SCHEMBL28941048

NC(=O)Oc1cnc(N2CCOCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.58
▸ KDM4E B2RXH2 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ AOC3 Q16853 11/20 0.45
▸ PTPN11 Q06124 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ ADRA1A P35348 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
SCHEMBL16827279 0.86 POLB (0.64) POLBKDM4EHTTAOC3PTPN11
SCHEMBL29224913 0.85 ALDH1A1 (0.40) POLBKDM4EAOC3PTPN11ALDH1A1
SCHEMBL29177386 0.84 POLB (0.44) POLBKDM4EAOC3PTPN11ALDH1A1
SCHEMBL28940962 0.81 ALDH1A1 (0.55) POLBKDM4EHTTAOC3ALDH1A1
SCHEMBL28941031 0.79 SMN1; SMN2 (0.44) POLBKDM4EALDH1A1
SCHEMBL3126575 0.79 POLB (0.73) POLBKDM4EHTTAOC3PTPN11
SCHEMBL3914229 0.76 AKR1C3 (0.51) KDM4EHTTALDH1A1
SCHEMBL24921466 0.75 POLB (0.53) POLBKDM4EPIK3CAMTORALDH1A1
SCHEMBL28053591 0.75 POLB (0.77) POLBKDM4EHTTPTPN11PIK3R1
SCHEMBL28294314 0.75 HRH3 (0.57) POLB

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN disclosed
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