SCHEMBL29575705

SCHEMBL29575705

O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5c(c4)CCC(=O)N5)n3)ccc2N1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 8/20 0.82
ULK1 O75385 12/20 0.80
PTK2 Q05397 6/20 0.72
CDK1 P06493 1/20 0.66
CCNB1 P14635 1/20 0.66
CDK7 P50613 1/20 0.66
KIF11 P52732 1/20 0.59

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
SCHEMBL17545058 1.00 PTK2B (0.82) PTK2BULK1PTK2CDK1CCNB1
SCHEMBL17544613 0.95 ULK1 (0.78) PTK2BULK1PTK2CDK1CCNB1
SCHEMBL17547508 0.95 ULK1 (0.75) PTK2BULK1PTK2CDK1CCNB1
SCHEMBL17547579 0.95 ULK1 (0.78) PTK2BULK1PTK2CDK1CCNB1
SCHEMBL17547502 0.93 PTK2B (0.72) PTK2BULK1PTK2CDK1CCNB1
SCHEMBL17544983 0.92 PTK2B (0.69) PTK2BULK1PTK2CDK1CCNB1
SCHEMBL17547505 0.91 PTK2B (0.75) PTK2BULK1PTK2CDK1CCNB1
SCHEMBL17544995 0.91 ULK1 (0.69) PTK2BULK1PTK2CDK1CCNB1
SCHEMBL17547573 0.91 ULK1 (0.69) PTK2BULK1PTK2CDK1CCNB1
SCHEMBL17547517 0.91 PTK2B (0.68) PTK2BULK1PTK2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185868-B1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INST FOR BIOLOGICAL STUDI (US) 2022-04-06 EP disclosed