SCHEMBL20144259

SCHEMBL20144259

C=CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc32)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.83
EGFR P00533 5/20 0.81
TEC P42680 3/20 0.67
BMX P51813 3/20 0.67
ITK Q08881 3/20 0.67
TXK P42681 2/20 0.67
LYN P07948 2/20 0.67
FGFR2 P21802 2/20 0.67
LCK P06239 2/20 0.67
RIPK2 O43353 1/20 0.67
NR1I2 O75469 1/20 0.67
SLC22A3 O75751 1/20 0.67
LATS1 O95835 1/20 0.67
NUDT14 O95848 1/20 0.67
ABL1 P00519 1/20 0.67
ERBB2 P04626 1/20 0.67
FYN P06241 1/20 0.67
PGR P06401 1/20 0.67
CSF1R P07333 1/20 0.67
YES1 P07947 1/20 0.67

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
SCHEMBL21330610 0.91 BTK (1.00) BTKEGFRTECBMXITK
SCHEMBL21330615 0.91 BTK (1.00) BTKEGFRTECBMXITK
SCHEMBL20144257 0.90 BTK (0.79) BTKEGFRITKLCKNUDT14
SCHEMBL202187 0.90 BTK (1.00) BTKEGFRTECBMXITK
SCHEMBL16075005 0.88 BTK (1.00) BTKEGFR
SCHEMBL20144230 0.88 BTK (0.84) BTKEGFRITKLCK
SCHEMBL20144258 0.85 BTK (0.79) BTKEGFRITKLCKNUDT14
SCHEMBL20144243 0.85 BTK (0.64) BTKEGFRITKLYNLCK
SCHEMBL200392 0.85 BTK (1.00) BTKEGFRTECBMXITK
SCHEMBL200391 0.85 BTK (1.00) BTKEGFRTECBMXITK

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-2970300-B1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-05-16 EP disclosed