SCHEMBL18700175

SCHEMBL18700175

NC(=O)c1c(-c2ccc(Oc3ccc(Cl)cc3)cc2)n[nH]c1N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
CHEK2 O96017 3/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
BTK Q06187 9/20 0.43
EGFR P00533 6/20 0.43
SRC P12931 2/20 0.43
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
SIRT1 Q96EB6 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL8308326 0.92 SIRT1 (0.45) GAAGFERSIRT1
SCHEMBL16197120 0.88 SCN9A (0.50) BTKSRC
SCHEMBL18700190 0.87 BTK (0.49) LTA4HCHEK2BTKEGFR
SCHEMBL18700125 0.85 BTK (0.50) CHEK2BTKGAAGFER
SCHEMBL18700210 0.82 CHEK2 (0.48) CHEK2MEN1KMT2ABTKGAA
SCHEMBL29709430 0.81 LCK (0.45) BTKGAAGFER
SCHEMBL18700213 0.80 SCN9A (0.53) CHEK2BTKEGFRSRC
SCHEMBL25891793 0.79 GAA (0.43) MEN1KMT2ABTKGAAGFER
SCHEMBL11144994 0.78 MAP2K4 (0.52) KMT2ARAB9A
SCHEMBL19636003 0.77 SCN4A (0.54) BTKEGFRSRC

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
EP-2914586-B1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER (US) 2017-04-05 EP disclosed