SCHEMBL30299388

SCHEMBL30299388

NC1=NC(N)(c2ccc(N3CCCC(N4CCCC4)C3)c(F)c2)NN1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
CDC42BPA Q5VT25 3/20 0.34
CDC42BPB Q9Y5S2 3/20 0.34
PIK3CD O00329 1/20 0.33
CSF1R P07333 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
AXL P30530 2/20 0.32
BTK Q06187 1/20 0.32
MAP4K4 O95819 1/20 0.31
KMT2A Q03164 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL30299325 0.98 ROCK2 (0.32) ROCK2ROCK1CDC42BPACDC42BPBPIK3CD
SCHEMBL30299345 0.92 AXL (0.38) CSF1RCDK4CDK6ALDH1A1SMN1; SMN2
SCHEMBL30299298 0.92 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2HRH3AXL
SCHEMBL29929683 0.89 AXL (0.40) CSF1RCDK4CDK6ALDH1A1SMN1; SMN2
SCHEMBL29928123 0.88 AXL (0.39) CSF1RCDK4CDK6ALDH1A1SMN1; SMN2
SCHEMBL30299369 0.87 AXL (0.37) KDM4EALDH1A1SMN1; SMN2HRH3AXL
SCHEMBL30090687 0.86 AXL (0.38) KDM4EALDH1A1AXLKMT2A
SCHEMBL30299381 0.82 IP6K1 (0.32)
SCHEMBL30299368 0.80 GAA (0.38) KDM4EHTTALDH1A1SMN1; SMN2AXL
SCHEMBL30299377 0.80 PDE3B (0.34) ALDH1A1SMN1; SMN2HRH3

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