SCHEMBL22650701

SCHEMBL22650701

Cc1nn2ccc(-c3ccnc(Nc4ccc(N5CCCC(N)C5=O)cc4)n3)cc2c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.38
JAK3 P52333 6/20 0.38
MAPK10 P53779 3/20 0.38
MAPK8 P45983 2/20 0.38
CDK9 P50750 6/20 0.37
BRD4 O60885 3/20 0.37
CDK1 P06493 2/20 0.36
CDK4 P11802 2/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
LYN P07948 2/20 0.36
FLT3 P36888 2/20 0.36
SYK P43405 2/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
SRC P12931 2/20 0.36
PDGFRA P16234 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
CIT O14578 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
SCHEMBL22650716 0.91 JAK2 (0.38) JAK2JAK3MAPK10MAPK8CDK9
SCHEMBL22650604 0.90 JAK2 (0.37) JAK2JAK3MAPK10MAPK8CDK9
SCHEMBL22650709 0.85 JAK2 (0.39) JAK2JAK3CDK9BRD4CDK1
SCHEMBL22650423 0.82 JAK2 (0.37) JAK2JAK3MAPK10MAPK8CDK9
SCHEMBL22650702 0.81 JAK2 (0.39) JAK2JAK3MAPK10CDK9BRD4
SCHEMBL22650707 0.76 JAK2 (0.39) JAK2JAK3CDK9BRD4CDK1
SCHEMBL22650419 0.75 JAK2 (0.38) JAK2JAK3CDK9BRD4CDK1
SCHEMBL22650519 0.75 EGFR (0.36) MAPK8CDK9BRD4CDK1CDK4
SCHEMBL22650523 0.74 EGFR (0.42) JAK2MAPK8EGFRROS1CDK2
SCHEMBL22650599 0.74 DKK1 (0.43) MAPK10MAPK8CDK9CDK1CDK4

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