SCHEMBL29974705

SCHEMBL29974705

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.56
KCNH2 Q12809 2/20 0.56
IL1B P01584 12/20 0.44
CHEK1 O14757 1/20 0.42
CHEK2 O96017 1/20 0.42
TNF P01375 2/20 0.42
IDH2 P48735 1/20 0.36

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
Hydrochloric Acid SCHEMBL27182192 0.90 NLRP3 (0.52) NLRP3KCNH2IL1BCHEK1CHEK2
SCHEMBL26434531 0.88 NLRP3 (0.71) NLRP3KCNH2IL1BTNF
SCHEMBL29326492 0.88 NLRP3 (0.71) NLRP3KCNH2IL1BTNF
SCHEMBL29326421 0.88 NLRP3 (0.71) NLRP3KCNH2IL1BTNF
SCHEMBL29975000 0.88 NLRP3 (0.71) NLRP3KCNH2IL1BTNF
SCHEMBL24696096 0.88 NLRP3 (0.71) NLRP3KCNH2IL1BTNF
SCHEMBL29326357 0.88 NLRP3 (0.68) NLRP3KCNH2IL1BTNF
SCHEMBL29326491 0.88 NLRP3 (0.71) NLRP3KCNH2IL1BTNF
SCHEMBL30684875 0.87 CHEK2 (0.53) NLRP3KCNH2IL1BCHEK1CHEK2
SCHEMBL29155947 0.87 CHEK2 (0.53) NLRP3KCNH2IL1BCHEK1CHEK2

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