SCHEMBL3147242

SCHEMBL3147242

CCOc1cc2c(Nc3cc(OC)c(Cl)cc3Cl)c(C#N)cnc2cc1OCCC1CCN(C)CC1.CCOc1cc2c(Nc3cc(OC)c(Cl)cc3Cl)c(C#N)cnc2cc1OCCCC1CCN(C)CC1.CCOc1cc2c(Nc3cc(OC)c(Cl)cc3Cl)c(C#N)cnc2cc1OCCCN1CCN(CC)CC1.CCOc1cc2c(Nc3cc(OC)c(Cl)cc3Cl)c(C#N)cnc2cc1OCCN1CCN(C)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.78
ABL1 P00519 7/20 0.78
ABL2 P42684 5/20 0.78
BCR P11274 3/20 0.74
FYN P06241 2/20 0.74
STK25 O00506 1/20 0.74
CIT O14578 1/20 0.74
RIOK3 O14730 1/20 0.74
MAP2K7 O14733 1/20 0.74
CHEK1 O14757 1/20 0.74
CASK O14936 1/20 0.74
GAK O14976 1/20 0.74
EPHB6 O15197 1/20 0.74
MAP3K13 O43283 1/20 0.74
MAP3K7 O43318 1/20 0.74
RIPK2 O43353 1/20 0.74
NUAK1 O60285 1/20 0.74
JAK2 O60674 1/20 0.74
ROCK2 O75116 1/20 0.74
ULK1 O75385 1/20 0.74

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
SCHEMBL677192 0.91 SRC (0.93) SRCABL1ABL2BCRFYN
SCHEMBL30452986 0.91 SRC (0.93) SRCABL1ABL2BCRFYN
SCHEMBL30453438 0.91 SRC (0.92) SRCABL1ABL2BCRFYN
SCHEMBL676580 0.91 SRC (0.92) SRCABL1ABL2BCRFYN
SCHEMBL30453343 0.89 SRC (0.92) SRCABL1ABL2BCRFYN
SCHEMBL676669 0.89 SRC (0.92) SRCABL1ABL2BCRFYN
SCHEMBL30454025 0.89 SRC (0.94) SRCABL1ABL2BCRFYN
SCHEMBL677210 0.89 SRC (0.94) SRCABL1ABL2BCRFYN
SCHEMBL30453202 0.89 SRC (0.85) SRCABL1ABL2BCRFYN
SCHEMBL676654 0.89 SRC (0.85) SRCABL1ABL2BCRFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002009-A2 TREATMENT OF IMATINIB RESISTANT LEUKEMIA USING 4-AMINOQUINOLINE-3-CARBONITRILES Wyeth LLC (US) 2016-04-06 EP claimed
EP-2777704-A2 Treatment of imatinib resistant leukemia using 4-aminoquinoline-3-carbonitriles Wyeth LLC (US) 2014-09-17 EP claimed
EP-2478905-A2 Treatment of imatinib resistant leukemia using 4-aminoquinoline-3-carbonitriles Wyeth LLC (US) 2012-07-25 EP claimed
EP-2152267-A2 TREATMENT OF IMATINIB RESISTANT LEUKEMIA USING 4-AMINOQUINOLINE-3-CARBONITRILES Wyeth LLC (US) 2010-02-17 EP claimed
WO-2008150957-A2 TREATMENT OF IMATINIB RESISTANT LEUKEMIA USING 4-AMINOQUINOLINE-3-CARBONITRILES WYETH (US) 2008-12-11 WO claimed