SCHEMBL25765606

SCHEMBL25765606

CC(C)N1CC(c2ccc(-c3cc4c(N5CCN(C(O)C6CC6)CC5)ccnn4c3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.37
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
PARP1 P09874 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HDAC4 P56524 1/20 0.31
RET P07949 3/20 0.31
PARP2 Q9UGN5 1/20 0.30
MC4R P32245 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL25777898 0.86 KIT (0.37) KITRET
SCHEMBL19459170 0.84 MC4R (0.40) KITRETMC4R
SCHEMBL19459081 0.84 RET (0.41) KITTGFBR1ACVR1RETMC4R
SCHEMBL19486399 0.84 KIT (0.37) KITBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL21679943 0.83 KIT (0.40) KITRET
SCHEMBL19481733 0.81 JAK1 (0.42) KITRETMC4R
SCHEMBL19459128 0.81 RET (0.49) KITRET
SCHEMBL25778277 0.81 TLR9 (0.39) KITPARP1TLR9TLR8TLR7
SCHEMBL25772331 0.80 KIT (0.36) KITBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL25777745 0.80 DRD3 (0.41) KITRET

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-3442977-B1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORP (US) 2023-06-28 EP disclosed