SCHEMBL29509151

SCHEMBL29509151

Nc1cccnc1N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
CNR2 P34972 1/20 0.53
KEAP1 Q14145 1/20 0.50
HPGD P15428 1/20 0.47
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.44
NUDT1 P36639 1/20 0.44

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
SCHEMBL4437674 1.00 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29508931 0.98 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4867515 0.98 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL27517144 0.96 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14335129 0.83 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29445436 0.81 CYP1A2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1551043 0.81 CYP1A2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8415184 0.81 EPHX2 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14782171 0.81 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4865013 0.81 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-3994132-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF Sumitomo Dainippon Pharma Oncology, Inc. (US) 2022-05-11 EP disclosed
CN-114302878-A Tyrosine kinase non-receptor 1(TNK1) inhibitors and uses thereof 大日本住友制药肿瘤公司 2022-04-08 CN disclosed