SCHEMBL27061909

SCHEMBL27061909

CC(=O)N1CCC2(CCN(c3cccc4cnc(NC5CCN(S(C)(=O)=O)CC5)nc34)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 19/20 0.46
▸ CCNE1 P24864 17/20 0.46
▸ CCND1 P24385 12/20 0.46
▸ CDK4 P11802 7/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ CDK6 Q00534 10/20 0.44
▸ CCNT1 O60563 5/20 0.44
▸ CDK9 P50750 5/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43

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
SCHEMBL27063321 0.96 CDK2 (0.47) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL27061908 0.96 CDK2 (0.47) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL30804786 0.96 CDK2 (0.47) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL27061913 0.90 CDK2 (0.49) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL30804788 0.90 CDK2 (0.49) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL27033611 0.87 CDK2 (0.48) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL30726224 0.87 CDK2 (0.48) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL27061912 0.86 CDK2 (0.47) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL27061975 0.86 CDK2 (0.47) CDK2CCNE1CCND1CDK4CDK1
SCHEMBL27061905 0.86 CDK2 (0.47) CDK2CCNE1CCND1CDK4CDK1

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-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 — — WO disclosed
Send feedback