SCHEMBL30260800

SCHEMBL30260800

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1Nc1cccc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 13/20 0.54
▸ CDK12 Q9NYV4 13/20 0.54
▸ CCNT1 O60563 12/20 0.54
▸ CDK9 P50750 12/20 0.54
▸ CCNE1 P24864 9/20 0.54
▸ CDK2 P24941 9/20 0.54
▸ CDK7 P50613 7/20 0.52
▸ CCNH P51946 7/20 0.52
▸ MNAT1 P51948 7/20 0.52
▸ CHEK1 O14757 3/20 0.51
▸ FLT3 P36888 1/20 0.48
▸ ULK1 O75385 1/20 0.47

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
SCHEMBL30260881 0.87 CCNK (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260821 0.85 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260964 0.85 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31666635 0.85 CCNK (0.61) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31666582 0.85 CCNK (0.61) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260884 0.83 CCNK (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30261059 0.82 CCNK (0.56) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260817 0.81 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260946 0.80 CCNK (0.61) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260826 0.80 CHEK1 (0.48) CCNKCDK12CCNT1CDK9CCNE1

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
Send feedback