SCHEMBL30452905

SCHEMBL30452905

CN1CCC(NC(=O)c2ccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)c3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.60
BMPR1B O00238 3/20 0.52
BMPR1A P36894 3/20 0.52
ACVRL1 P37023 3/20 0.52
ACVR1 Q04771 3/20 0.52
TGFBR1 P36897 2/20 0.52
FYN P06241 1/20 0.49
AXL P30530 1/20 0.46
MERTK Q12866 1/20 0.46
JAK2 O60674 1/20 0.46
MAP4K3 Q8IVH8 1/20 0.46
ATR Q13535 1/20 0.46
SLC6A5 Q9Y345 1/20 0.44
BTK Q06187 1/20 0.44
WDR5 P61964 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL487528 1.00 MET (0.60) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL487873 0.91 AXL (0.57) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30453612 0.91 AXL (0.57) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL488491 0.86 MET (0.48) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30452915 0.86 MET (0.48) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL488430 0.85 ATR (0.55) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30453567 0.85 ATR (0.55) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30452925 0.84 MET (0.60) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL488334 0.84 MET (0.60) METBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL488450 0.84 MET (0.65) METBMPR1BACVR1TGFBR1FYN

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed