SCHEMBL30299339

SCHEMBL30299339

CC(C)N1CCN(Cc2ccc(C3(N)N=C(N)NN3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.39
TLR7 Q9NYK1 2/20 0.39
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL30299315 0.86 LMNA (0.52) HRH3PARP1LMNAKDM4EALDH1A1
SCHEMBL30299394 0.83 GPR4 (0.43) HRH3LMNAKDM4EALDH1A1
SCHEMBL30299269 0.79 MEN1 (0.45) HRH3KDM4EALDH1A1
SCHEMBL30299294 0.77 L3MBTL3 (0.47) HRH3KDM4EALDH1A1
SCHEMBL1126070 0.73 LMNA (0.66) HRH3LMNAKDM4EALDH1A1TDP1
SCHEMBL30299386 0.69 SIGMAR1 (0.40) HRH3LMNAKDM4EALDH1A1TDP1
Water SCHEMBL27827706 0.69 HRH3 (0.51) HRH3LMNAKDM4EALDH1A1TDP1
SCHEMBL14983598 0.68 SIGMAR1 (0.61) HRH3LMNAKDM4EALDH1A1
SCHEMBL10263723 0.68 POLB (0.58) HRH3KDM4EALDH1A1TDP1
SCHEMBL10261035 0.68 ALDH1A1 (0.65) HRH3LMNAKDM4EALDH1A1TDP1

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-116075303-A Method of selecting patients treated with a combination of an AXL inhibitor and an immune checkpoint modulator 卑尔根生物股份公司 2023-05-05 CN disclosed
CN-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed