SCHEMBL30939991

SCHEMBL30939991

COc1ccc2c3cc(F)nc(C)c3n(CCCN3CCOCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.52
▸ CDK4 P11802 1/20 0.52
▸ CCND1 P24385 1/20 0.52
▸ CCNE1 P24864 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ DYRK1A Q13627 11/20 0.48
▸ HASPIN Q8TF76 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 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
SCHEMBL16123624 1.00 CCNE2 (0.52) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL16123620 0.98 CCNE2 (0.50) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30939990 0.98 CCNE2 (0.50) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30939959 0.95 DYRK1A (0.50) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL16123514 0.95 DYRK1A (0.50) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30939946 0.88 DYRK1A (0.48) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL16123608 0.88 DYRK1A (0.48) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL16123621 0.86 ABCB1 (0.42) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30939996 0.86 ABCB1 (0.42) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL16123586 0.86 DYRK1A (0.51) CCNE2CDK4CCND1CCNE1CDK2

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
CN-113416187-B Alkylamine harmine derivatives for promoting bone growth 奥斯菲治疗有限公司 2024-07-19 — — CN disclosed
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