SCHEMBL27064223

SCHEMBL27064223

CC(C)(C)OC(=O)N1CCC(c2cc(C(F)F)cc3cnc(NC4CCN(S(C)(=O)=O)CC4)nc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.49
▸ CCNE1 P24864 18/20 0.46
▸ CDK2 P24941 18/20 0.46
▸ CCND1 P24385 16/20 0.46
▸ CDK6 Q00534 16/20 0.46
▸ CCNT1 O60563 2/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ RB1 P06400 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCND3 P30281 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
SCHEMBL27033325 0.90 GPR119 (0.43) GPR119CCNE1CDK2CCND1CDK6
SCHEMBL30726210 0.90 GPR119 (0.43) GPR119CCNE1CDK2CCND1CDK6
SCHEMBL27033317 0.88 CDK2 (0.42) GPR119CCNE1CDK2CCND1CDK6
SCHEMBL30726192 0.88 CDK2 (0.42) GPR119CCNE1CDK2CCND1CDK6
SCHEMBL27064225 0.85 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27064224 0.82 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27064320 0.81 CCNE1 (0.47) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30726229 0.78 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30726234 0.78 CDK2 (0.48) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27033306 0.78 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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