SCHEMBL30261007

SCHEMBL30261007

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1Nc1cnc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 5/20 0.65
▸ CHEK1 O14757 6/20 0.56
▸ CCNK O75909 6/20 0.54
▸ CDK12 Q9NYV4 6/20 0.54
▸ CCNT1 O60563 4/20 0.54
▸ CCNE1 P24864 4/20 0.54
▸ CDK2 P24941 4/20 0.54
▸ CDK9 P50750 4/20 0.54
▸ CDK7 P50613 3/20 0.53
▸ CCNH P51946 3/20 0.53
▸ MNAT1 P51948 3/20 0.53
▸ FLT3 P36888 2/20 0.52
▸ ULK2 Q8IYT8 1/20 0.51
▸ IDH2 P48735 1/20 0.48

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
SCHEMBL30260876 0.89 CHEK1 (0.58) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL31666582 0.87 CCNK (0.61) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL31666635 0.87 CCNK (0.61) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL30260956 0.86 CCNK (0.57) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL30260884 0.84 CCNK (0.55) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL30260858 0.83 CHEK1 (0.57) CHEK1CCNKCDK12CCNT1CCNE1
SCHEMBL30261059 0.83 CCNK (0.56) ULK1CHEK1CCNKCDK12CCNT1
SCHEMBL14975888 0.82 SYK (0.71) CHEK1
SCHEMBL14975884 0.82 SYK (0.71) CHEK1
SCHEMBL30260817 0.81 CCNK (0.52) ULK1CHEK1CCNKCDK12CCNT1

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
WO-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 — — WO disclosed
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