SCHEMBL29929683

SCHEMBL29929683

NC1=NC(N)(c2ccc(N3CCC(N4CCCC4)CC3)c(F)c2)NN1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.40
L3MBTL3 Q96JM7 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HRH3 Q9Y5N1 8/20 0.35
CSF1R P07333 1/20 0.34
CDK4 P11802 1/20 0.34
CDK6 Q00534 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MBTD1 Q05BQ5 1/20 0.33
EGFR P00533 1/20 0.33
TOP1 P11387 1/20 0.33
TOP2A P11388 1/20 0.33
NPY2R P49146 1/20 0.32
LMNA P02545 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL29928123 0.99 AXL (0.39) AXLL3MBTL3L3MBTL1HRH3CSF1R
SCHEMBL30299345 0.97 AXL (0.38) AXLL3MBTL3L3MBTL1HRH3CSF1R
SCHEMBL30299369 0.92 AXL (0.37) AXLHRH3ALDH1A1SMN1; SMN2LMNA
SCHEMBL30090654 0.91 PDE3B (0.34) AXLHRH3ALDH1A1SMN1; SMN2LMNA
SCHEMBL30090486 0.91 KCNH2 (0.39) AXLL3MBTL1CDK4ALDH1A1EGFR
SCHEMBL30299368 0.91 GAA (0.38) AXLALDH1A1SMN1; SMN2LMNA
SCHEMBL30090687 0.91 AXL (0.38) AXLALDH1A1LMNA
SCHEMBL30299298 0.90 ALDH1A1 (0.32) AXLHRH3ALDH1A1SMN1; SMN2
SCHEMBL30299388 0.89 ROCK2 (0.34) AXLHRH3CSF1RCDK4CDK6
SCHEMBL30299325 0.89 ROCK2 (0.32) AXLHRH3CSF1RCDK4CDK6

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 5 patents. 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 claimed
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
CN-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed