SCHEMBL4552090

SCHEMBL4552090

Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)cccc3S(C)(=O)=O)s2)cc(N2CCN(CCO)CC2)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.82
SRC P12931 5/20 0.82
PKMYT1 Q99640 3/20 0.82
EPHB6 O15197 2/20 0.82
EGFR P00533 2/20 0.82
LCK P06239 2/20 0.82
FYN P06241 2/20 0.82
CSF1R P07333 2/20 0.82
YES1 P07947 2/20 0.82
LYN P07948 2/20 0.82
RET P07949 2/20 0.82
HCK P08631 2/20 0.82
KIT P10721 2/20 0.82
BCR P11274 2/20 0.82
BRAF P15056 2/20 0.82
EPHA1 P21709 2/20 0.82
EPHA2 P29317 2/20 0.82
EPHA3 P29320 2/20 0.82
EPHA8 P29322 2/20 0.82
EPHB2 P29323 2/20 0.82

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
SCHEMBL1704876 0.93 ABL1 (0.92) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL28151013 0.92 ABL1 (0.94) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL28446951 0.91 ABL1 (0.94) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL15012468 0.91 ABL1 (0.94) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL29381185 0.90 ABL1 (1.00) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL28350326 0.90 ABL1 (1.00) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL8226 0.90 ABL1 (1.00) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL16618598 0.90 ABL1 (1.00) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL20857008 0.90 ABL1 (0.98) ABL1SRCPKMYT1EPHB6EGFR
Dasatinib Anhydrous SCHEMBL28828268 0.90 ABL1 (0.98) ABL1SRCPKMYT1EPHB6EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117544-A2 BIOMARKER IDENTIFYING THE REACTIVATION OF STAT3 AFTER SRC INHIBITION Board of Regents of the University of Texas System (US) 2009-11-18 EP disclosed
EP-1955073-A2 METHODS OF IDENTIFYING AND TREATING INDIVIDUALS EXHIBITING MDR-1 OVEREXPRESSION WITH PROTEIN TYROSINE KINASE INHIBITORS AND COMBINATIONS THEREOF Brystol-Myers Squibb Company (US) 2008-08-13 EP disclosed
WO-2008077064-A2 BIOMARKER IDENTIFYING THE REACTIVATION OF STAT3 AFTER SRC INHIBITION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-06-26 WO disclosed
WO-2007059143-A2 METHODS OF IDENTIFYING AND TREATING INDIVIDUALS EXHIBITING MDR-1 OVEREXPRESSION WITH PROTEIN TYROSINE KINASE INHIBITORS AND COMBINATIONS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed