SCHEMBL22650434

SCHEMBL22650434

CC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCC(NCCF)CC5=O)cc4)n3)cc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.36
JAK3 P52333 10/20 0.36
JAK1 P23458 5/20 0.35
CDK1 P06493 3/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 2/20 0.34
BTK Q06187 3/20 0.34

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
SCHEMBL22650760 0.92 CDK4 (0.39) CDK1CDK4CCNB1CCND1CDK2
SCHEMBL22650421 0.85 JAK2 (0.38) JAK2JAK3JAK1CDK1CDK4
SCHEMBL22650457 0.84 CDK4 (0.40) CDK1CDK4CCNB1CCND1CDK2
SCHEMBL22650433 0.84 EGFR (0.36) CDK4
SCHEMBL22650837 0.81 CDK4 (0.41) CDK1CDK4CCNB1CCND1CDK2
SCHEMBL22650838 0.81 CDK4 (0.41) CDK1CDK4CCNB1CCND1CDK2
SCHEMBL29491156 0.81 CDK4 (0.41) CDK1CDK4CCNB1CCND1CDK2
SCHEMBL22650835 0.81 CDK4 (0.41) CDK1CDK4CCNB1CCND1CDK2
SCHEMBL22650847 0.80 JAK2 (0.39) JAK2JAK3JAK1CDK1CDK4
SCHEMBL22650526 0.80 MAP4K1 (0.44) JAK2JAK3CDK1CDK4CCNB1

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