SCHEMBL30299359

SCHEMBL30299359

CN1CCc2ncc(C3(N)N=C(N)NN3)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 6/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAP3K14 Q99558 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PTK2B Q14289 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 5/20 0.32
KDM4E B2RXH2 4/20 0.32
SHMT2 P34897 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
USP2 O75604 2/20 0.30
ALOX15 P16050 2/20 0.30
HSD17B10 Q99714 2/20 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
SCHEMBL30299333 0.81 MAP3K14 (0.33) MAP3K14
SCHEMBL30299292 0.77 HRH3 (0.32)
SCHEMBL30299382 0.77
SCHEMBL30299384 0.76 HSD11B1 (0.33) KMT2ALMNAMAPTL3MBTL1
SCHEMBL3440728 0.72 CYP2C19 (0.44) CYP2C9CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL29520297 0.72 CYP2C19 (0.44) CYP2C9CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL30299262 0.71 HRH4 (0.39) MAPTUSP2L3MBTL1
SCHEMBL30299299 0.70 HRH3 (0.33) GAA
SCHEMBL14853093 0.67 CYP2C19 (0.45) CYP2C9CYP2C19ALDH1A1POLBLMNA
SCHEMBL29928107 0.67 MAPT (0.49) ALDH1A1KMT2AMEN1GAAPTK2B

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