SCHEMBL6818722

SCHEMBL6818722

NC(=O)c1ccncc1.O=C(O)c1cc2c(=O)n(Cc3ccc(F)cc3)cnc2s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.43
ROCK2 O75116 5/20 0.43
ROCK1 Q13464 4/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK14 Q16539 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
GRK2 P25098 1/20 0.39

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
SCHEMBL6818733 0.90 ROCK2 (0.46) MMP13ROCK2ROCK1MEN1MAPT
SCHEMBL6699556 0.89 MAPT (0.49) MMP13ROCK2ROCK1MEN1MAPT
SCHEMBL6818728 0.80 MMP13 (0.52) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL5696971 0.69 MMP13 (0.65) MMP13
SCHEMBL6704369 0.69 MEN1 (0.50) MMP13MEN1MAPTKMT2AKDM4E
SCHEMBL6699569 0.68 MMP13 (0.57) MMP13ROCK2ROCK1MEN1MAPT
SCHEMBL6814146 0.67 FPR1 (0.38) MEN1MAPTKMT2AHTTSMN1; SMN2
SCHEMBL6705173 0.67 MMP13 (0.52) MMP13MEN1KMT2AKDM4EHTT
SCHEMBL6698254 0.66 MEN1 (0.52) MMP13ROCK2ROCK1MEN1MAPT
SCHEMBL7986413 0.66 HTT (0.52) HTTSMN1; SMN2MAPK14

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-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed