SCHEMBL23969239

SCHEMBL23969239

C=C(CC)c1cc(C)cnc1NCCCCNC

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
CHRNA7 P36544 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
L3MBTL4 Q8NA19 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
GAS6 Q14393 1/20 0.30
SYK P43405 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
SCHEMBL25468268 0.81 CHRNA7 (0.32) CHRNA7
SCHEMBL23969324 0.74 PLK1 (0.40) L3MBTL4L3MBTL3FLT3TYRO3MERTK
SCHEMBL21171187 0.70 MAOA (0.40) CHRNA7JAK2JAK1JAK3
SCHEMBL22175858 0.69 L3MBTL4 (0.38) L3MBTL4L3MBTL3
SCHEMBL22175908 0.69 SIGMAR1 (0.37) L3MBTL4L3MBTL3
SCHEMBL22176523 0.69 SIGMAR1 (0.37) L3MBTL4L3MBTL3
SCHEMBL22175863 0.69 SIGMAR1 (0.37) L3MBTL4L3MBTL3
SCHEMBL23969437 0.68 SIGMAR1 (0.33)
SCHEMBL24640579 0.67 IKBKB (0.36) CHEK1JAK2JAK1JAK3
SCHEMBL21171078 0.67 CCNB2 (0.34) JAK2JAK1JAK3

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-3903788-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2021-11-03 EP disclosed