SCHEMBL29975294

SCHEMBL29975294

Cc1nc(N[C@@H]2CCCC[C@H]2O)nnc1-c1ccc(OC(F)F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.47
KCNH2 Q12809 1/20 0.47
IL1B P01584 3/20 0.36
GALR2 O43603 2/20 0.35
GALR1 P47211 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TNF P01375 1/20 0.34
IDH1 O75874 2/20 0.34
CRHR1 P34998 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ABL1 P00519 1/20 0.32
CSF1R P07333 4/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL29326803 1.00 NLRP3 (0.47) NLRP3KCNH2IL1BGALR2GALR1
Hydrochloric Acid SCHEMBL29974962 0.99 NLRP3 (0.46) NLRP3KCNH2IL1BGALR2GALR1
SCHEMBL29326443 0.88 NLRP3 (0.52) NLRP3KCNH2IL1BGALR2GALR1
SCHEMBL30684765 0.88 NLRP3 (0.52) NLRP3KCNH2IL1BGALR2GALR1
SCHEMBL29326566 0.88 NLRP3 (0.48) NLRP3KCNH2IL1BIDH1CRHR1
Hydrochloric Acid SCHEMBL30684819 0.87 NLRP3 (0.47) NLRP3KCNH2IL1BIDH1CRHR1
SCHEMBL29326539 0.83 NLRP3 (0.52) NLRP3KCNH2IL1BIRAK4TNF
SCHEMBL29326482 0.83 NLRP3 (0.51) NLRP3KCNH2IL1BTNFIDH1
SCHEMBL26434277 0.83 NLRP3 (0.51) NLRP3KCNH2IL1BTNFIDH1
SCHEMBL29326480 0.82 NLRP3 (0.48) NLRP3KCNH2IL1BIRAK4TNF

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-117222626-A Substituted triazine compounds 安斯泰来制药株式会社 2023-12-12 CN claimed
EP-4345097-A1 SUBSTITUTED TRIAZINE COMPOUND Astellas Pharma Inc. (JP) 2024-04-03 EP disclosed
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