SCHEMBL30299331

SCHEMBL30299331

Nc1nc(N)n(-c2cccnc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2A6 P11509 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
HTT P42858 2/20 0.39
CYP2E1 P05181 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL8942018 0.79 TSHR (0.58) ALDH1A1SMN1; SMN2MAPTTSHRNPC1
SCHEMBL1248063 0.77 FLT3 (0.53) ALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL17457925 0.71 CYP2A6 (0.47) CYP11B2SMN1; SMN2CYP2A6CYP3A4MAPT
SCHEMBL17437518 0.70 RPS6KA5 (0.50) ALDH1A1MAPTTSHRHTTMAPK1
SCHEMBL16652179 0.70 POLB (0.66) CYP11B2ALDH1A1SMN1; SMN2CYP2A6CYP3A4
SCHEMBL7092394 0.70 NPC1 (0.47) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL15555920 0.70 DHFR (0.43) ALDH1A1MAPTTSHRRAB9AL3MBTL1
SCHEMBL16014624 0.69 TSHR (0.47) ALDH1A1SMN1; SMN2CYP3A4MAPTTSHR
SCHEMBL6086847 0.69 CYP11B2 (0.46) CYP11B2CYP2A6CYP3A4PI4KAPI4K2B
SCHEMBL12335152 0.69 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2CYP2A6CYP3A4MAPT

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