SCHEMBL6183013

SCHEMBL6183013

COc1cc(Nc2c(C#N)cnc3c(OC)c(OCCCN4CCN(C)CC4)ccc23)c(Cl)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.73
ABL1 P00519 4/20 0.73
BCR P11274 3/20 0.73
FYN P06241 3/20 0.73
EGFR P00533 3/20 0.73
WEE2 P0C1S8 2/20 0.73
WEE1 P30291 2/20 0.73
PKMYT1 Q99640 2/20 0.73
STK25 O00506 1/20 0.73
CIT O14578 1/20 0.73
RIOK3 O14730 1/20 0.73
MAP2K7 O14733 1/20 0.73
CHEK1 O14757 1/20 0.73
CASK O14936 1/20 0.73
GAK O14976 1/20 0.73
EPHB6 O15197 1/20 0.73
MAP3K13 O43283 1/20 0.73
MAP3K7 O43318 1/20 0.73
RIPK2 O43353 1/20 0.73
NUAK1 O60285 1/20 0.73

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
SCHEMBL6185394 0.92 SRC (0.63) SRCABL1BCRFYNEGFR
SCHEMBL5251932 0.91 SRC (0.68) SRCABL1BCRFYNEGFR
SCHEMBL6185902 0.89 SRC (0.65) SRCABL1BCRFYNEGFR
SCHEMBL6184540 0.88 SRC (0.74) SRCABL1BCRFYNEGFR
SCHEMBL5254607 0.88 SRC (0.72) SRCABL1BCRFYNEGFR
SCHEMBL6183455 0.88 SRC (0.74) SRCABL1BCRFYNEGFR
SCHEMBL5252220 0.87 SRC (0.67) SRCABL1BCRFYNEGFR
SCHEMBL6185420 0.87 SRC (0.67) SRCABL1BCRFYNEGFR
SCHEMBL5257261 0.86 SRC (0.61) SRCABL1BCRFYNEGFR
SCHEMBL6186103 0.86 SRC (0.70) SRCABL1BCRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902029-B2 CRYSTALLINE FORMS OF 4-[(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYL-1-PIPERAZINYL)PROPOXY]-3-QUINOLINECARB-ONITRILE AND METHODS OF PREPARING THE SAME WYETH LLC (US) 2022-02-16 EP claimed
EP-3002009-B1 TREATMENT OF IMATINIB RESISTANT CHRONIC MYELOGENOUS LEUKEMIA HAVING THE MUTATON 1457T>C IN THE BCRABL GENE USING THE COMPOUND BOSUTINIB WYETH LLC (US) 2021-07-07 EP claimed
EP-1896020-B1 SKI 606 as src kinase inhibitor for treating osteolytic lesions UNIV TEXAS (US) 2014-08-20 EP claimed
EP-2478905-B1 Treatment of imatinib resistant leukemia using 4-aminoquinoline-3-carbonitriles WYETH LLC (US) 2014-05-14 EP claimed
EP-1902029-B1 CRYSTALLINE FORMS OF 4-[(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYL-1-PIPERAZINYL)PROPOXY]-3-QUINOLINECARB-ONITRILE AND METHODS OF PREPARING THE SAME WYETH LLC (US) 2014-01-08 EP claimed
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP claimed
EP-3873532-A1 DC-SIGN ANTIBODY DRUG CONJUGATES Novartis AG (CH) 2021-09-08 EP disclosed