SCHEMBL22650940

SCHEMBL22650940

CNC1CCCN(c2ccc(Nc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)cn2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.38
STK17A Q9UEE5 4/20 0.36
MYLK4 Q86YV6 3/20 0.36
CD69 Q07108 2/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
ZAP70 P43403 1/20 0.36
NEK3 P51956 1/20 0.35
LIMK1 P53667 1/20 0.35
NEK5 Q6P3R8 1/20 0.35
CDK9 P50750 4/20 0.35
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
BRD4 O60885 2/20 0.35

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
SCHEMBL22650707 0.92 JAK2 (0.39) BTKSTK17AMYLK4CD69CDK1
SCHEMBL22650450 0.85 CDK4 (0.41) CDK1CDK4CCNB1CCND1CDK9
SCHEMBL22650427 0.83 EGFR (0.36) BTKCDK1CDK4CDK9
SCHEMBL22650709 0.83 JAK2 (0.39) STK17AMYLK4CDK1CDK4CCNB1
SCHEMBL22650430 0.82 MYLK4 (0.43) STK17AMYLK4CLK4TBK1CDK1
SCHEMBL22650419 0.81 JAK2 (0.38) STK17AMYLK4CDK1CDK4CCNB1
SCHEMBL22650422 0.79 CDK1 (0.41) STK17AMYLK4CDK1CDK4CCNB1
SCHEMBL22650716 0.79 JAK2 (0.38) BTKCDK1CDK4CCNB1CCND1
SCHEMBL22650847 0.78 JAK2 (0.39) STK17ACDK1CDK4CCNB1CCND1
SCHEMBL22650920 0.75 CDK2 (0.54) STK17AMYLK4CDK1CDK4CCNB1

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