SCHEMBL1084178

SCHEMBL1084178

CCNc1nc(-c2ccccc2F)nc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
POLB P06746 2/20 0.73
MAPK1 P28482 2/20 0.73
LMNA P02545 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
ALDH1A1 P00352 3/20 0.64
GBA1 P04062 2/20 0.62
CYP1A2 P05177 5/20 0.59
CYP1A1 P04798 2/20 0.59
USP1 O94782 1/20 0.57
WDR48 Q8TAF3 1/20 0.57
TP53 P04637 1/20 0.55
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
TSHR P16473 2/20 0.54
CYP2C19 P33261 2/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 2/20 0.53

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
SCHEMBL1083874 0.84 MAPK1 (1.00) MAPTPOLBMAPK1LMNASMN1; SMN2
SCHEMBL1083916 0.84 CYP1A2 (0.70) MAPTPOLBMAPK1LMNASMN1; SMN2
SCHEMBL1083811 0.83 CYP1A2 (0.59) MAPTPOLBMAPK1LMNASMN1; SMN2
SCHEMBL1084184 0.81 CYP1A1 (0.77) MAPTPOLBMAPK1LMNAMEN1
SCHEMBL1083808 0.81 SMN1; SMN2 (1.00) MAPTPOLBMAPK1LMNASMN1; SMN2
SCHEMBL1083895 0.80 MEN1 (0.78) MAPTPOLBMAPK1LMNASMN1; SMN2
SCHEMBL2590654 0.79 MAPK1 (0.71) MAPTPOLBMAPK1LMNASMN1; SMN2
SCHEMBL1084254 0.78 KMT2A (1.00) MAPTPOLBMAPK1LMNASMN1; SMN2
SCHEMBL1084100 0.77 GBA1 (0.64) MAPTPOLBMAPK1LMNASMN1; SMN2
SCHEMBL2587526 0.77 KMT2A (1.00) MAPTPOLBMAPK1LMNASMN1; SMN2

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 7 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-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