SCHEMBL1507715

SCHEMBL1507715

C#Cc1cccc(Nc2ncnc3ccc(C#N)cc23)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.71
EGFR P00533 15/20 0.64
GAK O14976 3/20 0.63
FBP1 P09467 2/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
ERBB2 P04626 3/20 0.60
ERBB4 Q15303 2/20 0.60
RIPK2 O43353 2/20 0.58
BUB1 O43683 2/20 0.58
STK10 O94804 2/20 0.58
MAP3K1 Q13233 2/20 0.58
PIP4K2C Q8TBX8 2/20 0.58
SLK Q9H2G2 2/20 0.58
CARS1 P49589 1/20 0.58
AURKA O14965 2/20 0.57
PLK4 O00444 1/20 0.57
CIT O14578 1/20 0.57
EPHB6 O15197 1/20 0.57
SLC22A1 O15245 1/20 0.57

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
SCHEMBL1507464 0.85 EGFR (0.70) ABCG2EGFRGAKFBP1ALDH1A1
SCHEMBL1507534 0.84 EGFR (0.65) ABCG2EGFRGAKFBP1ALDH1A1
SCHEMBL1507524 0.84 EGFR (0.74) ABCG2EGFRGAKFBP1ALDH1A1
SCHEMBL27529543 0.84 EGFR (0.69) ABCG2EGFRGAKFBP1ALDH1A1
SCHEMBL642044 0.84 EGFR (0.69) ABCG2EGFRGAKFBP1ALDH1A1
SCHEMBL6663910 0.84 ABCG2 (0.73) ABCG2EGFRALDH1A1MAPTERBB2
SCHEMBL30804558 0.84 EGFR (0.65) ABCG2EGFRGAKFBP1ALDH1A1
SCHEMBL183355 0.83 ABCG2 (0.76) ABCG2EGFRGAKFBP1ALDH1A1
SCHEMBL29894409 0.83 ABCG2 (0.76) ABCG2EGFRGAKFBP1ALDH1A1
Hydrochloric Acid SCHEMBL1507507 0.83 EGFR (0.67) ABCG2EGFRGAKFBP1ALDH1A1

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