SCHEMBL29990331

SCHEMBL29990331

NC(=O)c1ccc(N[C@H]2CCNC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.46
BTK Q06187 1/20 0.45
PRKD1 Q15139 2/20 0.45
PRKD2 Q9BZL6 2/20 0.45
FLT3 P36888 1/20 0.45
MAPK14 Q16539 3/20 0.44
CHEK1 O14757 2/20 0.43
KDM1A O60341 1/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
SYK P43405 2/20 0.42
KCNH2 Q12809 2/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
AURKB Q96GD4 1/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
BCL9 O00512 1/20 0.41

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
SCHEMBL6156878 1.00 RPS6KB1 (0.46) RPS6KB1BTKPRKD1PRKD2FLT3
SCHEMBL6154228 0.91 FLT3 (0.54) RPS6KB1BTKFLT3CHEK1FPR3
SCHEMBL4144350 0.90 IRAK4 (0.45) RPS6KB1KDM1ASYKJAK2JAK1
Hydrochloric Acid SCHEMBL6153321 0.89 IRAK4 (0.44) RPS6KB1KDM1ASYKBCL9CTNNB1
SCHEMBL6153495 0.85 SYK (0.45) RPS6KB1PRKD1PRKD2FLT3CHEK1
SCHEMBL11891388 0.82 ALDH1A1 (0.48) MAPK14
SCHEMBL27932778 0.81 SYK (0.48) FLT3SYK
SCHEMBL5392079 0.78 PLK4 (0.56) RPS6KB1PRKD2KDM1AFPR3FPR2
SCHEMBL9536802 0.78 AXL (0.42) RPS6KB1PRKD2CHEK1KDM1AFPR3
SCHEMBL12998885 0.78 SYK (0.52) SYK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022234867-A1 SULFONAMIDE HAVING MMP 7-INHIBITING ACTION 大正製薬株式会社 2022-11-10 WO disclosed