SCHEMBL30053759

SCHEMBL30053759

CN1CCN([C@H]2CC[C@@H](c3cn(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.54
LCK P06239 3/20 0.54
SRC P12931 3/20 0.54
TEK Q02763 3/20 0.54
HCK P08631 3/20 0.54
KDR P35968 2/20 0.54
PLK4 O00444 1/20 0.54
DCLK1 O15075 1/20 0.54
PDPK1 O15530 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 1/20 0.54
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
NTRK1 P04629 1/20 0.54
INSR P06213 1/20 0.54
FYN P06241 1/20 0.54
CSF1R P07333 1/20 0.54

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
SCHEMBL30054412 1.00 BTK (0.54) BTKLCKSRCTEKHCK
SCHEMBL23855018 1.00 BTK (0.54) BTKLCKSRCTEKHCK
SCHEMBL23847507 1.00 BTK (0.54) BTKLCKSRCTEKHCK
SCHEMBL23855013 1.00 BTK (0.54) BTKLCKSRCTEKHCK
SCHEMBL5250649 0.84 TNK2 (0.47) BTKLCKSRCTEKKDR
SCHEMBL23847508 0.83 TNK2 (0.48) BTKLCKSRCTEKKDR
SCHEMBL23834462 0.81 BTK (0.45) BTKLCKERBB2BLKERBB4
SCHEMBL22710626 0.78 BTK (0.56) BTKLCKSRCHCKEGFR
SCHEMBL23834499 0.78 BTK (0.40) BTKLCKSRCTEKHCK
SCHEMBL19230428 0.77 BTK (0.56) BTKLCKSRCTEKTNK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298180-B Compounds for treating or inhibiting recurrence of acute myeloid leukemia 日本理化学研究所 2025-06-10 CN disclosed
EP-4121430-A1 COMPOUNDS FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA Flash Therapeuttics, LLC (US) 2023-01-25 EP disclosed
CN-115298180-A Compounds for treating or inhibiting recurrence of acute myeloid leukemia 富雷旭医疗有限责任公司 2022-11-04 CN disclosed