SCHEMBL29975282

SCHEMBL29975282

O=C1NCC[C@@H]1Nc1nncc(C2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.41
SCN9A Q15858 4/20 0.35
HSD11B1 P28845 1/20 0.35
SYK P43405 3/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
FPR2 P25090 1/20 0.31
OPRL1 P41146 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL29155912 1.00 HPGDS (0.41) HPGDSSCN9AHSD11B1SYKMKNK1
SCHEMBL29326100 0.71 HSD11B1 (0.37) HPGDSSCN9AHSD11B1MKNK1MKNK2
SCHEMBL31197278 0.70 CDK7 (0.43) CRBN
SCHEMBL16000542 0.69 SCN9A (0.38) HPGDSSCN9AHSD11B1MKNK1MKNK2
SCHEMBL29325902 0.69 SCN9A (0.33) HPGDSSCN9AHSD11B1SYKMKNK1
SCHEMBL29325904 0.69 SCN9A (0.33) HPGDSSCN9AHSD11B1SYKMKNK1
SCHEMBL29326076 0.67 IDH1 (0.47) HSD11B1MKNK1MKNK2
SCHEMBL29326073 0.67 IDH1 (0.44) HSD11B1SYKMKNK1MKNK2
SCHEMBL29326072 0.66 HPGDS (0.41) HPGDSCD274
SCHEMBL29974713 0.66 HPGDS (0.41) HPGDSCD274

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-117222626-A Substituted triazine compounds 安斯泰来制药株式会社 2023-12-12 CN disclosed
WO-2022230912-A1 SUBSTITUTED TRIAZINE COMPOUND アステラス製薬株式会社 2022-11-03 WO disclosed