SCHEMBL1084656

SCHEMBL1084656

Oc1ccccc1-c1nc(NC(C2CC2)C2CC2)c2cc(F)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
MAPT P10636 3/20 0.48
HSP90AA1 P07900 1/20 0.48
CHEK2 O96017 11/20 0.47
CHEK1 O14757 3/20 0.47
ALK Q9UM73 2/20 0.45
GAA P10253 2/20 0.45
NTRK1 P04629 1/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCRTR1 O43613 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1083929 0.84 MAPT (0.58) MEN1KMT2AMAPTHSP90AA1CHEK2
SCHEMBL1084363 0.83 MEN1 (0.67) MEN1KMT2AHSP90AA1CHEK2CHEK1
SCHEMBL1084080 0.82 MAPT (0.56) MEN1KMT2AMAPTHSP90AA1CHEK2
SCHEMBL1084819 0.81 MEN1 (0.74) MEN1KMT2AHSP90AA1CHEK2CHEK1
SCHEMBL1084400 0.81 MAPT (0.52) MEN1KMT2AMAPTHSP90AA1ALK
SCHEMBL1084311 0.80 MEN1 (0.57) MEN1KMT2AMAPTALKGAA
SCHEMBL1084679 0.80 MEN1 (0.54) MEN1KMT2AMAPTHSP90AA1CHEK2
SCHEMBL1084535 0.80 MAPT (0.51) MEN1KMT2AMAPTHSP90AA1CHEK2
SCHEMBL1084050 0.80 MEN1 (0.73) MEN1KMT2AHSP90AA1CHEK2CHEK1
SCHEMBL1084673 0.80 MAPT (0.54) MEN1KMT2AMAPTCHEK2CHEK1

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