SCHEMBL29989727

SCHEMBL29989727

NC(=O)c1ccc(N[C@H]2CCNC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.46
CHEK1 O14757 8/20 0.46
KCNH2 Q12809 5/20 0.45
P2RX7 Q99572 2/20 0.45
FLT3 P36888 1/20 0.45
SYK P43405 2/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
AURKB Q96GD4 1/20 0.44
PDPK1 O15530 1/20 0.42
JAK2 O60674 1/20 0.41
PARP1 P09874 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
SCHEMBL29990243 1.00 RPS6KB1 (0.46) RPS6KB1CHEK1KCNH2P2RX7FLT3
Trifluoroacetic Acid SCHEMBL6156921 0.84 CACNA1B (0.45) RPS6KB1P2RX7FLT3
SCHEMBL30032248 0.84 SLC6A4 (0.47) KCNH2P2RX7
SCHEMBL30033278 0.84 SLC6A4 (0.47) KCNH2P2RX7
SCHEMBL21460294 0.80 SLC6A2 (0.44) KCNH2P2RX7
SCHEMBL29990331 0.77 RPS6KB1 (0.46) RPS6KB1CHEK1KCNH2FLT3SYK
SCHEMBL6156878 0.77 RPS6KB1 (0.46) RPS6KB1CHEK1KCNH2FLT3SYK
SCHEMBL6153421 0.77 AURKA (0.45) RPS6KB1CHEK1KCNH2P2RX7FLT3
SCHEMBL30032904 0.77 P2RX7 (0.51) RPS6KB1CHEK1KCNH2P2RX7FLT3
SCHEMBL7668352 0.76 P2RX7 (0.76) P2RX7

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