SCHEMBL30299352

SCHEMBL30299352

CCCN(CCC)C1CCN(c2ccc(C3(N)N=C(N)NN3)cc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.35
HTR1B P28222 3/20 0.35
DRD3 P35462 15/20 0.34
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30299330 0.92 GAA (0.34) GAAHPGDSMN1; SMN2
SCHEMBL30090537 0.87 TNIK (0.36) GAA
SCHEMBL29928562 0.86 CDK4 (0.31) GAAHPGDSMN1; SMN2
SCHEMBL30299336 0.84 JAK2 (0.35) GAAHPGDSMN1; SMN2
SCHEMBL30299337 0.83 FPR1 (0.37)
SCHEMBL30299377 0.82 PDE3B (0.34) GAAHPGDSMN1; SMN2
SCHEMBL30299371 0.79 ALDH1A1 (0.43) GAA
SCHEMBL29929683 0.79 AXL (0.40) SMN1; SMN2
SCHEMBL30090486 0.78 KCNH2 (0.39)
SCHEMBL30299303 0.78 CYP17A1 (0.36) DRD3DRD2

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