SCHEMBL22650428

SCHEMBL22650428

CC(C)(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCCC(N)C5=O)cc4F)n3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.35
CCND3 P30281 3/20 0.35
CDK6 Q00534 3/20 0.35
EGFR P00533 1/20 0.34
SYK P43405 1/20 0.33
BTK Q06187 5/20 0.33
CCNA2 P20248 3/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 1/20 0.32
MAPK3 P27361 2/20 0.32
MAPK1 P28482 2/20 0.32
LDLR P01130 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32

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
SCHEMBL22650702 0.89 JAK2 (0.39) EGFRBTKCCNA2CDK2CCNA1
SCHEMBL22650519 0.89 EGFR (0.36) CDK4CCND3CDK6EGFRCCNA2
SCHEMBL22650521 0.88 CDK4 (0.40) CDK4CCND3CDK6CCNA2CDK1
SCHEMBL22650598 0.83 EGFR (0.37) CDK4CCND3EGFRCCNA2CDK2
SCHEMBL22650522 0.83 F10 (0.37) CDK4CCND3CDK6EGFRBTK
SCHEMBL22650523 0.79 EGFR (0.42) EGFRCDK2CDK5CDK5R1IGF1R
SCHEMBL22650427 0.79 EGFR (0.36) CDK4CCND3CDK6EGFRBTK
SCHEMBL22650527 0.78 CDK4 (0.40) CDK4CCND3CDK6BTKCCNA2
SCHEMBL22650709 0.77 JAK2 (0.39) CDK4CDK1PDGFRBABL1BCR
SCHEMBL22650532 0.74 EGFR (0.36) CDK4CCND3CDK6EGFRPIM1

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed