SCHEMBL30299305

SCHEMBL30299305

Cc1cc(C2(N)N=C(N)NN2)ccc1N1CCC(N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
NR4A1 P22736 1/20 0.38
PTK2B Q14289 1/20 0.38
L3MBTL3 Q96JM7 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A3 P47895 2/20 0.34
HRH3 Q9Y5N1 6/20 0.34
TDP1 Q9NUW8 1/20 0.34
MBTD1 Q05BQ5 1/20 0.33
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPY2R P49146 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
SCHEMBL30090686 0.92 EML4 (0.39)
SCHEMBL30299323 0.88 NPY2R (0.41) ALDH1A1L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL29929683 0.87 AXL (0.40) ALDH1A1L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL30299390 0.86 PDCD1 (0.38) ALDH1A1L3MBTL3L3MBTL1HRH3PDCD1
SCHEMBL29928123 0.86 AXL (0.39) ALDH1A1L3MBTL3L3MBTL1HRH3PDCD1
SCHEMBL30299396 0.85 NOTUM (0.36) L3MBTL3L3MBTL1HRH3MBTD1NPY2R
SCHEMBL30299345 0.85 AXL (0.38) ALDH1A1L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL30299340 0.82 OPRK1 (0.37) L3MBTL3L3MBTL1HRH3
SCHEMBL30299283 0.82 L3MBTL3 (0.54) L3MBTL3L3MBTL1MBTD1
SCHEMBL30299368 0.81 GAA (0.38) ALDH1A1MEN1MAPTKMT2AGAA

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