SCHEMBL30299362

SCHEMBL30299362

CN1CCN(C2CCN(C/C=C/c3ccc(C4(N)N=C(N)NN4)cn3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 7/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAD52 P43351 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL4987905 1.00 GPR4 (0.33) GPR4CTSKKDM4ERAD52L3MBTL1
SCHEMBL30299376 0.92 GPR4 (0.38) GPR4CTSK
SCHEMBL30299399 0.90 GPR4 (0.37) GPR4CTSKKDM4ERAD52L3MBTL1
SCHEMBL30299380 0.84 PRKCQ (0.31)
SCHEMBL30299279 0.82 LTA4H (0.36) MAPT
SCHEMBL30299348 0.81 GPR4 (0.42) GPR4CTSKKDM4E
SCHEMBL30299385 0.80 KCNH2 (0.37)
SCHEMBL30299358 0.80 GPR4 (0.43) GPR4CTSKL3MBTL1
SCHEMBL30299386 0.79 SIGMAR1 (0.40) KDM4EMAPT
SCHEMBL30299374 0.79 SMN1; SMN2 (0.35) GPR4CTSKKDM4E

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-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed