SCHEMBL26943494

SCHEMBL26943494

FC(F)(F)c1cnc(NC2CCN(SC3CCCNC3)CC2)nc1NC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 3/20 0.58
▸ CHEK1 O14757 8/20 0.49
▸ CCNK O75909 7/20 0.45
▸ CDK12 Q9NYV4 7/20 0.45
▸ CCNT1 O60563 6/20 0.45
▸ CCNE1 P24864 6/20 0.45
▸ CDK2 P24941 6/20 0.45
▸ CDK9 P50750 6/20 0.45
▸ FLT3 P36888 4/20 0.44
▸ CDK7 P50613 2/20 0.44
▸ CCNH P51946 2/20 0.44
▸ MNAT1 P51948 2/20 0.44
▸ ULK2 Q8IYT8 1/20 0.44

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
SCHEMBL26943498 0.80 ULK1 (0.57) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL26943497 0.80 ULK1 (0.57) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL17547443 0.76 ULK1 (1.00) ULK1ULK2
SCHEMBL17547453 0.73 ULK1 (0.88) ULK1ULK2
SCHEMBL26941552 0.72 ULK1 (0.67) ULK1CCNT1CCNE1CDK2CDK9
SCHEMBL31666582 0.71 CCNK (0.61) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL31666635 0.71 CCNK (0.61) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL30626302 0.70 CCNK (0.60) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL25596344 0.70 CCNT1 (0.60) ULK1CCNKCDK12CCNT1CCNE1
SCHEMBL31403284 0.69 CHEK1 (0.63) ULK1CHEK1FLT3ULK2

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-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 — — EP disclosed
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