SCHEMBL29928107

SCHEMBL29928107

CN1CCN(c2ccc(C3(N)N=C(N)NN3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ADRA2C P18825 3/20 0.49
ALDH1A1 P00352 2/20 0.49
PTK2B Q14289 2/20 0.49
KMT2A Q03164 2/20 0.49
GFER P55789 1/20 0.49
ESR2 Q92731 1/20 0.49
JAK2 O60674 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
SIRT6 Q8N6T7 2/20 0.37
NCF1 P14598 1/20 0.37
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
FYN P06241 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL30299262 0.82 HRH4 (0.39) MAPTRAB9A
SCHEMBL30299315 0.80 LMNA (0.52) KDM4EALDH1A1NCF1CHKANPC1
SCHEMBL30299371 0.80 ALDH1A1 (0.43) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL29929746 0.78 QDPR (0.38) CHEK1
SCHEMBL30090698 0.78 TGFBR1 (0.34)
SCHEMBL30299283 0.78 L3MBTL3 (0.54)
SCHEMBL30299386 0.77 SIGMAR1 (0.40) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL30299385 0.72 KCNH2 (0.37)
SCHEMBL30299288 0.71
SCHEMBL28329042 0.71 MAPT (0.58) MAPTGAAKDM4EADRA2CALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 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-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed