SCHEMBL27033697

SCHEMBL27033697

O=C(O)N1CCC2(C1)CN(c1cc(C(F)F)cc3cnc(NC4CCN(S(=O)(=O)C5CC5)CC4)nc13)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.42
CDK2 P24941 20/20 0.42
CCND1 P24385 17/20 0.42
CDK6 Q00534 17/20 0.42
CDK4 P11802 4/20 0.38
CCND3 P30281 4/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CCNE2 O96020 1/20 0.38
RB1 P06400 1/20 0.38
CDK1 P06493 1/20 0.38
CCNA2 P20248 1/20 0.38

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
SCHEMBL27033396 0.89 CCND1 (0.41) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27065482 0.86 CCNE1 (0.44) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27033339 0.84 CCNE1 (0.42) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27061902 0.83 CCNE1 (0.45) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27174705 0.77 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30804792 0.77 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30726199 0.75 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27033323 0.75 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27034828 0.75 CCNE1 (0.39) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30804806 0.75 CCNE1 (0.39) CCNE1CDK2CCND1CDK6CDK4

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