SCHEMBL7430534

SCHEMBL7430534

C=C(OCC)c1c(C)nc(C)nc1NCc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
PLK4 O00444 1/20 0.36
PAK4 O96013 1/20 0.36
MEN1 O00255 3/20 0.36
APP P05067 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7434010 0.80 TSHR (0.51) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL13574895 0.72 NPSR1 (0.36) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL21514373 0.67 KRAS (0.55) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7442010 0.65 KDM4E (0.34) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL34462301 0.64 MAPT (0.57) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL6743052 0.62 ESR1 (0.49) MAPTKMT2AALDH1A1MEN1
SCHEMBL10231970 0.62 KMT2A (0.49) MAPTKMT2AALDH1A1LMNATP53
SCHEMBL3108332 0.62 MEN1 (0.54) MAPTKMT2ALMNAHTTSMN1; SMN2
SCHEMBL22712548 0.61 MAPT (0.58) MAPTKMT2AALDH1A1LMNATP53
SCHEMBL22712456 0.61 MAPT (0.58) MAPTKMT2AALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618207-B1 Substituted pyridopyrimidines as antihypertensives AMERICAN HOME PROD (US) 1999-01-07 EP disclosed
EP-0863143-A1 Intermediates useful in the production of pyridopyrimidone angiotensin AII antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-09 EP disclosed
US-5466692-A Substituted pyridopyrimidines and antihypertensives AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-14 US disclosed
EP-0618207-A1 Substituted pyridopyrimidines as antihypertensives AMERICAN HOME PRODUCTS CORPORATION (US) 1994-10-05 EP disclosed