SCHEMBL1084396

SCHEMBL1084396

Oc1ccccc1-c1nc(NCC2CCN(C3CCCC3)CC2)c2cc(F)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
HCRTR1 O43613 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSP90AA1 P07900 1/20 0.45
CHEK2 O96017 11/20 0.43
HIF1A Q16665 2/20 0.42
POLB P06746 1/20 0.42
PTK2B Q14289 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CHEK1 O14757 4/20 0.41
GBA1 P04062 1/20 0.39
EGLN1 Q9GZT9 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
SCHEMBL1084679 0.88 MEN1 (0.54) MEN1KMT2AMAPTLMNAHCRTR1
SCHEMBL1084866 0.84 MEN1 (0.48) MEN1KMT2AMAPTLMNAHCRTR1
SCHEMBL14080374 0.82 HIF1A (0.52) MEN1KMT2AMAPTLMNAHCRTR1
SCHEMBL1084676 0.79 MAPT (0.78) MEN1KMT2AMAPTLMNAHCRTR1
SCHEMBL1084819 0.77 MEN1 (0.74) MEN1KMT2ALMNAHSP90AA1CHEK2
SCHEMBL1084050 0.76 MEN1 (0.73) MEN1KMT2ALMNAHSP90AA1CHEK2
SCHEMBL1084660 0.76 MEN1 (0.54) MEN1KMT2AMAPTLMNAHCRTR1
SCHEMBL1084784 0.75 SMAD3 (0.58) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1084363 0.75 MEN1 (0.67) MEN1KMT2AALDH1A1MAPK1HSP90AA1
SCHEMBL1084650 0.74 SMAD3 (0.57) MEN1KMT2AMAPTLMNAALDH1A1

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