SCHEMBL22902864

SCHEMBL22902864

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)nc1)nn2[C@H]1C[C@@H](N)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.64
LCK P06239 2/20 0.63
LYN P07948 1/20 0.63
BLK P51451 2/20 0.62
FGR P09769 1/20 0.62
FLT3 P36888 1/20 0.62
CSK P41240 1/20 0.62
JAK3 P52333 1/20 0.62
ITK Q08881 1/20 0.62
NUDT14 O95848 1/20 0.59
NUDT5 Q9UKK9 1/20 0.59
SRC P12931 1/20 0.55
KDR P35968 1/20 0.55
TEK Q02763 1/20 0.55
EGFR P00533 1/20 0.52

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
SCHEMBL18645940 0.89 BTK (0.78) BTKLCKLYNBLKFGR
SCHEMBL24197239 0.87 BTK (0.66) BTKLCKLYNBLKFGR
SCHEMBL30416088 0.87 BTK (0.66) BTKLCKLYNBLKFGR
SCHEMBL25468776 0.86 BTK (0.81) BTKLCKLYNBLKFGR
SCHEMBL6431891 0.86 BTK (0.66) BTKLCKLYNBLKFGR
SCHEMBL21338953 0.85 BTK (0.63) BTKLCKLYNBLKFGR
SCHEMBL21338899 0.85 BTK (0.63) BTKLCKLYNBLKFGR
SCHEMBL25466396 0.84 BTK (0.67) BTKLCKLYNBLKFGR
SCHEMBL24197180 0.83 BTK (0.66) BTKLCKLYNBLKFGR
SCHEMBL30331082 0.83 BTK (0.78) BTKLCKLYNBLKFGR

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-2021011428-A1 HETEROCYCLIC KINASE INHIBITORS GB005, INC. (US) 2021-01-21 WO disclosed