SCHEMBL1084571

SCHEMBL1084571

COc1cccc(C2CCCN2c2nc(-c3ccccc3O)nc3ccc(F)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RXFP1 Q9HBX9 2/20 0.47
HIF1A Q16665 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
CHEK2 O96017 5/20 0.42
ROCK2 O75116 3/20 0.41
DYRK1A Q13627 1/20 0.41
SMAD3 P84022 1/20 0.40
ATM Q13315 1/20 0.39
CHEK1 O14757 1/20 0.39

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
SCHEMBL1083978 0.91 MAPT (0.45) MEN1KMT2ARXFP1HIF1AMAPT
SCHEMBL1084720 0.90 SMAD3 (0.45) MEN1KMT2AHIF1AMAPTLMNA
SCHEMBL1084134 0.89 SMAD3 (0.47) MEN1KMT2AHIF1AMAPTLMNA
SCHEMBL1084545 0.87 SMAD3 (0.42) MEN1KMT2AHIF1AMAPTLMNA
SCHEMBL1083977 0.87 MAPT (0.47) MEN1KMT2ARXFP1HIF1AMAPT
SCHEMBL1084189 0.86 SMAD3 (0.47) MEN1KMT2AHIF1AMAPTLMNA
SCHEMBL1084121 0.85 HIF1A (0.45) MEN1KMT2ARXFP1HIF1AMAPT
SCHEMBL1084239 0.85 MAPT (0.50) MEN1KMT2AHIF1AMAPTLMNA
SCHEMBL1083991 0.85 HIF1A (0.44) MEN1KMT2ARXFP1HIF1AMAPT
SCHEMBL1084157 0.84 MEN1 (0.45) MEN1KMT2AHIF1AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed