SCHEMBL20168140

SCHEMBL20168140

COc1ccc(-c2c(C)n(COCC[Si](C)(C)C)c3ncncc23)cn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
DGAT1 O75907 2/20 0.35
PDE1B Q01064 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CA P42336 4/20 0.34
MAT2A P31153 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
F2RL3 Q96RI0 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NPC1 O15118 1/20 0.32
CYP2A6 P11509 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL30892141 0.82 PIK3CD (0.36) DGAT1PIK3CAJAK2
SCHEMBL20162978 0.82 PIK3CD (0.36) DGAT1PIK3CAJAK2
SCHEMBL22553893 0.66 DGAT1 (0.35) MAPTDGAT1
SCHEMBL20162894 0.64 CYP1A2 (0.41)
SCHEMBL4805591 0.63 KDM4E (0.52) MAPTNPC1
SCHEMBL18789215 0.63 DGAT1 (0.41) MAPTDGAT1NPC1
SCHEMBL12985575 0.63 DGAT1 (0.37) MAPTDGAT1
SCHEMBL29736735 0.62 DGAT1 (0.43) MAPTDGAT1
SCHEMBL12009966 0.62 DGAT1 (0.43) MAPTDGAT1
SCHEMBL30862665 0.62 TDP1 (0.38) MAPTDGAT1PDE1BNPC1

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
EP-3541390-B1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2024-05-01 EP disclosed
EP-3541390-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation Therapeutics Inc. (US) 2019-09-25 EP disclosed
WO-2018094137-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) 2018-05-24 WO disclosed