SCHEMBL30299358

SCHEMBL30299358

NC1=NC(N)(c2ccc(C=CCN3CCC(N4CCCCC4)CC3)cc2)NN1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 7/20 0.43
CTSK P43235 1/20 0.43
LTA4H P09960 1/20 0.37
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 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
SCHEMBL30299348 0.99 GPR4 (0.42) GPR4CTSKLTA4HKMT2AHRH3
SCHEMBL30299374 0.91 SMN1; SMN2 (0.35) GPR4CTSKLTA4HKMT2A
SCHEMBL30299399 0.90 GPR4 (0.37) GPR4CTSKKMT2AALDH1A1TSHR
SCHEMBL30299272 0.89 LTA4H (0.46) LTA4HHRH3ALDH1A1TSHROPRM1
SCHEMBL30299376 0.88 GPR4 (0.38) GPR4CTSKLTA4H
SCHEMBL30299400 0.88 LTA4H (0.47) LTA4HHRH3ALDH1A1TSHROPRM1
SCHEMBL30299294 0.83 L3MBTL3 (0.47) KMT2AHRH3ALDH1A1TSHRRECQL
SCHEMBL30299395 0.80 TSHR (0.38) LTA4HKMT2AALDH1A1TSHROPRM1
SCHEMBL30299386 0.80 SIGMAR1 (0.40) LTA4HKMT2AHRH3ALDH1A1TSHR
SCHEMBL4987905 0.80 GPR4 (0.33) GPR4CTSKL3MBTL1

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