Sugi Predict

Sugi Predict / Compounds / SCHEMBL18288802

SCHEMBL18288802

SCHEMBL18288802

CCN1CCC(N2CCc3nc(Nc4ncc(F)c(-c5cc(F)c6nc(C)n(C(C)C)c6c5)n4)ccc3C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 1.00
▸ CDK1 P06493 13/20 1.00
▸ CCNB1 P14635 11/20 1.00
▸ CCNE1 P24864 11/20 1.00
▸ CDK6 Q00534 11/20 1.00
▸ CDK9 P50750 3/20 1.00
▸ CCNT1 O60563 1/20 1.00
▸ CCND3 P30281 1/20 1.00
▸ CDK2 P24941 10/20 0.82
▸ CDK7 P50613 2/20 0.73

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
SCHEMBL18289053 0.93 CDK4 (1.00) CDK4CDK1CCNB1CCNE1CDK6
SCHEMBL18288932 0.93 CDK4 (0.87) CDK4CDK1CCNB1CCNE1CDK6
SCHEMBL18288933 0.93 CDK4 (1.00) CDK4CDK1CCNB1CCNE1CDK6
SCHEMBL18288526 0.93 CDK4 (0.86) CDK4CDK1CCNB1CCNE1CDK6
SCHEMBL18288547 0.93 CDK4 (0.86) CDK4CDK1CCNB1CCNE1CDK6
SCHEMBL18289058 0.93 CDK4 (0.86) CDK4CDK1CCNB1CCNE1CDK6
SCHEMBL18288924 0.92 CDK4 (1.00) CDK4CDK1CCNB1CCNE1CDK6
SCHEMBL18289052 0.91 CDK4 (1.00) CDK4CDK1CCNB1CCNE1CDK6
SCHEMBL18289055 0.91 CDK4 (1.00) CDK4CDK1CCNB1CCNE1CDK6
SCHEMBL18288394 0.91 CDK4 (0.83) CDK4CDK1CCNB1CCNE1CDK6

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-2016192630-A1 COMPOUND HAVING KINASE INHIBITING ACTIVITY, METHOD OF PREPARING SAME, AND USE OF SAME 中国科学院上海药物研究所 2016-12-08 — — WO disclosed