SCHEMBL22650716

SCHEMBL22650716

CNC1CCCN(c2ccc(Nc3nccc(-c4ccn5nc(C)c(C(C)C)c5c4)n3)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.38
JAK3 P52333 5/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CDK9 P50750 6/20 0.36
CAMKK1 Q8N5S9 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
BRD4 O60885 4/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL22650701 0.91 JAK2 (0.38) JAK2JAK3MAPK8MAPK10CDK1
SCHEMBL22650604 0.90 JAK2 (0.37) JAK2JAK3MAPK8MAPK10CDK1
SCHEMBL22650707 0.85 JAK2 (0.39) JAK2JAK3CDK1CDK4CCNB1
SCHEMBL22650423 0.82 JAK2 (0.37) JAK2JAK3MAPK8MAPK10CDK1
SCHEMBL22650940 0.79 BTK (0.38) CDK1CDK4CCNB1CCND1CDK9
SCHEMBL22650450 0.78 CDK4 (0.41) CDK1CDK4CCNB1CCND1CDK9
SCHEMBL22650709 0.76 JAK2 (0.39) JAK2JAK3CDK1CDK4CCNB1
SCHEMBL22650427 0.76 EGFR (0.36) JAK2JAK3CDK1CDK4CDK9
SCHEMBL22650419 0.75 JAK2 (0.38) JAK2JAK3CDK1CDK4CCNB1
SCHEMBL22650599 0.73 DKK1 (0.43) MAPK8MAPK10CDK1CDK4CCNB1

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