SCHEMBL30299299

SCHEMBL30299299

CN1CCC(N2CCc3ccc(C4(N)N=C(N)NN4)cc3C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.33
ADRA1A P35348 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SMO Q99835 1/20 0.31
HRH1 P35367 1/20 0.30
CXCR3 P49682 1/20 0.30

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
SCHEMBL30276325 0.81 AXL (0.36) HRH3
SCHEMBL30299363 0.77 HRH3 (0.41) HRH3HRH1
SCHEMBL30090686 0.75 EML4 (0.39)
SCHEMBL30299333 0.74 MAP3K14 (0.33)
SCHEMBL30090486 0.74 KCNH2 (0.39)
SCHEMBL29929746 0.73 QDPR (0.38)
SCHEMBL30299359 0.70 CYP2C9 (0.35) GAA
SCHEMBL15759227 0.70 HRH1 (0.45) HRH3SMOHRH1CXCR3
SCHEMBL30299353 0.69 PNMT (0.43)
SCHEMBL30612422 0.69 DRD1 (0.41) HRH3GAASMN1; SMN2CXCR3

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