SCHEMBL5553586

SCHEMBL5553586

CN1CCN(c2ccccc2NC(=O)c2cccnc2NCc2ccncc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.57
KDR P35968 15/20 0.57
GAA P10253 1/20 0.51
WDR5 P61964 1/20 0.51
RET P07949 2/20 0.50
MAP3K20 Q9NYL2 2/20 0.50
RIPK3 Q9Y572 2/20 0.50
CIT O14578 1/20 0.49
MAP3K7 O43318 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
RAF1 P04049 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
YES1 P07947 1/20 0.49
LYN P07948 1/20 0.49

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
SCHEMBL427691 0.83 ABCB1 (0.80) ABCB1KDRRETMAP3K20RIPK3
SCHEMBL427690 0.81 ABCB1 (0.58) ABCB1KDRRETMAP3K20RIPK3
SCHEMBL429050 0.81 KDR (0.67) ABCB1KDRRETMAP3K20RIPK3
SCHEMBL3156329 0.81 ABCB1 (0.55) ABCB1KDRRETMAP3K20RIPK3
SCHEMBL3151267 0.79 KDR (0.64) KDR
SCHEMBL7128428 0.77 KDR (0.63) ABCB1KDRRETMAP3K20RIPK3
SCHEMBL446392 0.76 KDR (0.66) ABCB1KDRRETMAP3K20RIPK3
Hydrochloric Acid SCHEMBL444751 0.76 KDR (0.62) ABCB1KDRRETMAP3K20RIPK3
SCHEMBL427681 0.75 KDR (0.62) ABCB1KDRRETMAP3K20RIPK3
SCHEMBL7128863 0.74 KDR (0.74) ABCB1KDRFLT1

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-1842250-A2 ELECTRIC CURRENT-PRODUCING DEVICE HAVING SULFONE-BASED ELECTROLYTE Arizona Board of Regents, acting for and on behalf of, Arizona State University (US) 2007-10-10 EP claimed
WO-2006078866-A2 ELECTRIC CURRENT-PRODUCING DEVICE HAVING SULFONE-BASED ELECTROLYTE ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-07-27 WO claimed
EP-1842250-A2 ELECTRIC CURRENT-PRODUCING DEVICE HAVING SULFONE-BASED ELECTROLYTE Arizona Board of Regents, acting for and on behalf of, Arizona State University (US) 2007-10-10 EP disclosed
WO-2006078866-A2 ELECTRIC CURRENT-PRODUCING DEVICE HAVING SULFONE-BASED ELECTROLYTE ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-07-27 WO disclosed