SCHEMBL2224110

SCHEMBL2224110

C=CC(=O)Nc1cc2c(N)nc(-c3ccc(F)c(Cl)c3)nc2cc1OCCCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.66
ERBB2 P04626 9/20 0.66
ERBB4 Q15303 3/20 0.66
KIT P10721 2/20 0.66
SRC P12931 2/20 0.66
ERBB3 P21860 2/20 0.66
BMPR1B O00238 1/20 0.66
CIT O14578 1/20 0.66
MAP2K7 O14733 1/20 0.66
GAK O14976 1/20 0.66
EPHB6 O15197 1/20 0.66
MAP3K7 O43318 1/20 0.66
RIPK2 O43353 1/20 0.66
STK17B O94768 1/20 0.66
STK10 O94804 1/20 0.66
ABL1 P00519 1/20 0.66
LCK P06239 1/20 0.66
FYN P06241 1/20 0.66
YES1 P07947 1/20 0.66
LYN P07948 1/20 0.66

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
SCHEMBL30579743 1.00 EGFR (0.66) EGFRERBB2ERBB4KITSRC
SCHEMBL30564570 0.82 EGFR (0.61) EGFRERBB2ERBB4KITSRC
SCHEMBL2907710 0.82 EGFR (0.61) EGFRERBB2ERBB4KITSRC
SCHEMBL27471165 0.82 EGFR (0.57) EGFRERBB2ERBB4KITSRC
SCHEMBL14040940 0.81 EGFR (0.81) EGFRERBB2ERBB4KITSRC
SCHEMBL28454175 0.80 EGFR (0.49) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL29623482 0.79 EGFR (1.00) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL29655741 0.79 EGFR (1.00) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL29368458 0.79 EGFR (1.00) EGFRERBB2ERBB4KITSRC
Canertinib SCHEMBL54837 0.79 EGFR (1.00) EGFRERBB2ERBB4KITSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173170-A1 USE OF 4-THIAZOL-N-(PYRIDIN-2-YL)PYRIMIDIN-2-AMINE DERIVATIVES IN COMBINATION THERAPIES FOR CANCER AUCENTRA THERAPEUTICS PTY LTD (AU) 2023-09-21 WO disclosed
EP-2817313-A1 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-31 EP disclosed
EP-2632923-A1 QUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2013-09-04 EP disclosed
WO-2013124025-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed
EP-2513066-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
WO-2012055466-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-05-03 WO disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
EP-2007811-A2 TARGETED BINDING AGENTS DIRECTED TO UPAR AND USES THEREOF AstraZeneca AB (SE) 2008-12-31 EP disclosed
WO-2007120693-A2 TARGETED BINDING AGENTS DIRECTED TO UPAR AND USES THEREOF ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
EP-1272188-A2 USE OF EGFR TYROSINE KINASE INHIBITORS FOR TREATING BRESTA CANCER The University of Manchester (GB) 2003-01-08 EP disclosed
WO-2001032155-A2 USE OF EGFR TYROSINE KINASE INHIBITORS FOR TREATING BREAST CANCER THE UNIVERSITY OF MANCHESTER (GB) 2001-05-10 WO disclosed