SCHEMBL1507619

SCHEMBL1507619

C#Cc1cccc(Nc2ncnc3ccc(SCCOc4ccc(Br)cc4)cc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.63
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
ERBB2 P04626 6/20 0.56
FBP1 P09467 3/20 0.55
GAK O14976 2/20 0.55
ERBB4 Q15303 2/20 0.55
PLK4 O00444 1/20 0.55
CIT O14578 1/20 0.55
AURKA O14965 1/20 0.55
EPHB6 O15197 1/20 0.55

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
SCHEMBL1507536 0.86 EGFR (0.55) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1507649 0.84 EGFR (0.64) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1507634 0.83 FBP1 (0.65) EGFRHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1507704 0.82 FBP1 (0.64) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1507694 0.80 EGFR (0.57) EGFRHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1507568 0.78 EGFR (0.69) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4354683 0.78 EGFR (0.73) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8205256 0.78 EGFR (0.91) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8213254 0.77 EGFR (0.77) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL641749 0.77 EGFR (1.00) EGFRHDAC3HDAC4HDAC1HDAC7

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 6 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
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