SCHEMBL27064320

SCHEMBL27064320

COCCN1CCC(c2cc(C(F)F)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.47
▸ CDK2 P24941 20/20 0.47
▸ CCND1 P24385 17/20 0.47
▸ CDK6 Q00534 17/20 0.47
▸ CCNT1 O60563 3/20 0.47
▸ CDK4 P11802 3/20 0.47
▸ CDK9 P50750 3/20 0.47
▸ CCNB2 O95067 1/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL27033514 0.90 CDK2 (0.45) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL31538948 0.90 CDK2 (0.45) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27064225 0.88 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27064224 0.84 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30726229 0.81 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27033388 0.81 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27064223 0.81 GPR119 (0.49) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27065647 0.80 CCNE1 (0.41) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27055039 0.80 CCNE1 (0.49) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30726234 0.79 CDK2 (0.48) CCNE1CDK2CCND1CDK6CCNT1

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
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