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Sugi Predict / Compounds / SCHEMBL17545007

SCHEMBL17545007

SCHEMBL17545007

CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Cl)n3)ccc2N1

nearest known ligand 0.92

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 17/20 0.92
▸ PTK2B Q14289 8/20 0.92
▸ ULK1 O75385 5/20 0.92
▸ CDK1 P06493 1/20 0.92
▸ CCNB1 P14635 1/20 0.92
▸ CDK7 P50613 1/20 0.92

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
SCHEMBL29382158 0.96 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5212404 0.96 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL31732817 0.96 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL31060602 0.96 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL17544462 0.94 PTK2 (0.91) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5209315 0.90 PTK2 (0.88) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL3146424 0.89 PTK2 (1.00) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL5212849 0.86 PTK2B (0.82) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL17547558 0.86 PTK2 (0.81) PTK2PTK2BULK1CDK1CCNB1
SCHEMBL17547472 0.85 PTK2 (0.80) PTK2PTK2BULK1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185868-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME Salk Institute for Biological Studies (US) 2017-07-05 — — EP disclosed
WO-2016033100-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-03-03 — — WO disclosed