SCHEMBL29439197

SCHEMBL29439197

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C2CN(C3CCN(C4CCN(C5CNC5)CC4)CC3)C2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.71
LCK P06239 3/20 0.71
SRC P12931 2/20 0.71
KDR P35968 2/20 0.71
TEK Q02763 1/20 0.71
NUDT14 O95848 2/20 0.70
NUDT5 Q9UKK9 2/20 0.70
LYN P07948 2/20 0.69
EGFR P00533 3/20 0.62
TEC P42680 2/20 0.57
TXK P42681 2/20 0.57
BMX P51813 2/20 0.57
RIPK2 O43353 1/20 0.57
NR1I2 O75469 1/20 0.57
SLC22A3 O75751 1/20 0.57
LATS1 O95835 1/20 0.57
ABL1 P00519 1/20 0.57
ERBB2 P04626 1/20 0.57
FYN P06241 1/20 0.57
PGR P06401 1/20 0.57

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
SCHEMBL22720894 1.00 BTK (0.71) BTKLCKSRCKDRTEK
SCHEMBL22720796 0.99 BTK (0.71) BTKLCKSRCKDRTEK
SCHEMBL29439192 0.99 BTK (0.71) BTKLCKSRCKDRTEK
SCHEMBL29439093 0.99 BTK (0.71) BTKLCKSRCKDRTEK
SCHEMBL22721008 0.99 BTK (0.71) BTKLCKSRCKDRTEK
SCHEMBL28694009 0.97 BTK (0.76) BTKLCKSRCKDRTEK
SCHEMBL22720762 0.96 BTK (0.75) BTKLCKSRCKDRTEK
SCHEMBL22737304 0.96 BTK (0.68) BTKLCKSRCKDRTEK
SCHEMBL22720917 0.96 BTK (0.71) BTKLCKSRCKDRTEK
SCHEMBL29439211 0.96 BTK (0.71) BTKLCKSRCKDRTEK

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-3978496-A1 BTK INHIBITOR RING DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF Haisco Pharmaceuticals Pte. Ltd. (SG) 2022-04-06 EP disclosed