SCHEMBL26521561

SCHEMBL26521561

C=CC(=O)Nc1cccc(Nc2cc(N3CCCCC3)nc3c(CC)cnn23)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.72
▸ CCNK O75909 1/20 0.72
▸ CCNE1 P24864 1/20 0.72
▸ CDK2 P24941 1/20 0.72
▸ CDK7 P50613 1/20 0.72
▸ CDK9 P50750 1/20 0.72
▸ CCNH P51946 1/20 0.72
▸ MNAT1 P51948 1/20 0.72
▸ CDK13 Q14004 1/20 0.72
▸ CDK12 Q9NYV4 1/20 0.72
▸ CSNK2A1 P68400 1/20 0.45
▸ EGFR P00533 10/20 0.45
▸ BTK Q06187 7/20 0.45
▸ BLK P51451 3/20 0.45
▸ ITK Q08881 2/20 0.45
▸ SRC P12931 1/20 0.45
▸ FLT3 P36888 2/20 0.42
▸ JAK3 P52333 3/20 0.41
▸ MAPK3 P27361 1/20 0.40
▸ BCL6 P41182 1/20 0.40

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
SCHEMBL18113855 0.89 CCNT1 (0.67) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL18122670 0.84 CCNT1 (0.62) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL20550154 0.84 CDK9 (1.00) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL18113959 0.84 CDK9 (1.00) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL18122697 0.84 CDK9 (1.00) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL20549695 0.84 CCNT1 (0.61) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL18122690 0.84 CDK7 (0.61) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL18122687 0.83 CCNK (0.60) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL26516347 0.83 CDK2 (0.66) CCNT1CCNKCCNE1CDK2CDK7
SCHEMBL20286075 0.81 CCNT1 (0.58) CCNT1CCNKCCNE1CDK2CDK7

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-3273966-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA FARBER CANCER INST INC (US) 2023-05-03 — — EP disclosed
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