SCHEMBL1507706

SCHEMBL1507706

CCSc1ccc2[nH]cnc(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.41
QPCT Q16769 1/20 0.36
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
GRK6 P43250 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR1E P28566 1/20 0.31

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
SCHEMBL14698862 0.83 KDM4E (0.49) TYMSQPCTGSK3BALDH1A1MAPT
SCHEMBL14698880 0.79 XDH (0.36) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL1507659 0.77 MEN1 (0.40) QPCTHPGDPOLBCYP1A2PARP1
SCHEMBL2191001 0.74 PARP1 (0.54) GSK3BALDH1A1HPGDGAAHTR2A
SCHEMBL1507612 0.74 PARP1 (0.54) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL1584889 0.72 PIM1 (0.56) GSK3BALDH1A1MAPTHPGDHTR2A
SCHEMBL8622177 0.72 ACVR1 (0.46) ALDH1A1MAPTHPGDPOLBPARP1
SCHEMBL1507606 0.71 POLB (0.37) QPCTALDH1A1MAPTHPGDKDM4E
SCHEMBL9514887 0.71 IP6K1 (0.41) QPCTALDH1A1MAPTHPGDPOLB
SCHEMBL216175 0.70 PARP1 (0.54) TYMSQPCTGSK3BALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3103799-A1 QUINAZOLINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2016-12-14 EP disclosed
EP-2163546-B1 Quinazoline derivatives PFIZER PROD INC (US) 2016-06-01 EP disclosed
EP-2295415-A1 Quinazoline derivatives OSI Pharmaceuticals, Inc. (US) 2011-03-16 EP disclosed
EP-2163546-A1 Quinazoline derivatives Pfizer Products Incorporated (US) 2010-03-17 EP disclosed
US-RE41065-E1 Alkynl and azido-substituted 4-anilinoquinazolines PFIZER, INC. (US) 2009-12-29 US disclosed
EP-0817775-B1 QUINAZOLINE DERIVATIVES PFIZER (US) 2001-09-12 EP disclosed
EP-1110953-A1 Quinazoline derivatives PFIZER INC. (US) 2001-06-27 EP disclosed
US-5747498-A Alkynyl and azido-substituted 4-anilinoquinazolines PFIZER INC. (US) 1998-05-05 US disclosed
EP-0817775-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1998-01-14 EP disclosed
WO-1996030347-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1996-10-03 WO disclosed