SCHEMBL18700136

SCHEMBL18700136

NC(=O)c1c(-c2ccc(Cc3ccccc3F)cc2)n[nH]c1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.47
AR P10275 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BRS3 P32247 1/20 0.36
CHEK2 O96017 1/20 0.35
MAOB P27338 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
MPO P05164 1/20 0.34
HCAR3 P49019 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL18700220 0.86 BTK (0.47) BTKARALDH1A1KDM4EBRS3
SCHEMBL24518223 0.85 PLA2G2A (0.47) BTKALDH1A1MAPT
SCHEMBL18700219 0.80 BTK (0.48) BTKBRS3MAOBPARP10MPO
SCHEMBL25891692 0.77 GAA (0.47) ALDH1A1MAPTKDM4E
SCHEMBL25891793 0.74 GAA (0.43) BTKALDH1A1PARP10
SCHEMBL8308326 0.72 SIRT1 (0.45)
SCHEMBL26859461 0.72 MAPK1 (0.52) BTKALDH1A1MAPTKDM4E
SCHEMBL16197120 0.72 SCN9A (0.50) BTKPARP10
SCHEMBL25892423 0.68 ALDH1A1 (0.44) ALDH1A1MAPTKDM4E
SCHEMBL19636003 0.68 SCN4A (0.54) BTK

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