SCHEMBL23217070

SCHEMBL23217070

CN1CCN(C2CCC(n3ccc(-c4ccc(Oc5ccccc5)cc4)n3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.52
LCK P06239 4/20 0.52
SRC P12931 4/20 0.52
TEK Q02763 4/20 0.52
KDR P35968 3/20 0.52
HCK P08631 3/20 0.50
FYN P06241 2/20 0.50
PLK4 O00444 1/20 0.50
DCLK1 O15075 1/20 0.50
PDPK1 O15530 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
CHEK2 O96017 1/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
NTRK1 P04629 1/20 0.50
INSR P06213 1/20 0.50
CSF1R P07333 1/20 0.50

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
SCHEMBL6640044 0.93 BTK (0.46) BTKLCKSRCTEKKDR
SCHEMBL7114610 0.88 HRH3 (0.45) BTKLCKSRCTEKKDR
SCHEMBL27568293 0.87 BTK (0.45) BTKLCKSRCTEKKDR
SCHEMBL6686009 0.87 HPGDS (0.46) BTKLCKSRCTEKKDR
SCHEMBL5819366 0.86 BTK (0.43) BTKLCKSRCTEKKDR
SCHEMBL5803839 0.83 HCK (0.46) BTKLCKSRCTEKKDR
SCHEMBL5805292 0.83 PLAUR (0.42) BTKLCKSRCTEKKDR
SCHEMBL22720878 0.83 SCN4A (0.42) BTKLCKSRCTEKKDR
SCHEMBL5801637 0.82 KEAP1 (0.49) BTKLCKSRCTEKKDR
SCHEMBL6638952 0.82 KEAP1 (0.49) BTKLCKSRCTEKKDR

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-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 WO disclosed