SCHEMBL28415697

SCHEMBL28415697

COc1ccn2cc(C(C)=O)c(C(=O)Nc3cccc(-c4cnn(C)c4)c3F)c2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 18/20 0.58
▸ EP300 Q09472 4/20 0.51
▸ BRD2 P25440 1/20 0.45
▸ BRD3 Q15059 1/20 0.45
▸ CLK2 P49760 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ EPHB3 P54753 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CRBN Q96SW2 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
SCHEMBL28413189 0.90 CREBBP (0.58) CREBBPEP300BRD2BRD3CLK2
SCHEMBL28415713 0.90 CREBBP (0.46) CREBBPEP300BRD2BRD3EPHB3
SCHEMBL28422569 0.89 CREBBP (0.72) CREBBPEP300BRD2BRD3EPHB3
SCHEMBL28417785 0.88 CREBBP (0.44) CREBBPEP300BRD2BRD3EPHB3
SCHEMBL28411099 0.88 KDM4E (0.44) CREBBPEP300BRD2BRD3EPHB3
SCHEMBL28410723 0.87 CREBBP (0.45) CREBBPEP300BRD2BRD3EPHB3
SCHEMBL28416810 0.87 ABCB1 (0.45) CREBBPBRD2BRD3
SCHEMBL28411095 0.87 CREBBP (0.63) CREBBPEP300BRD2BRD3
SCHEMBL28416806 0.87 CREBBP (0.59) CREBBPEP300BRD2BRD3
SCHEMBL28413319 0.87 CREBBP (0.73) CREBBPEP300BRD2BRD3CRBN

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-111320621-A Indolizine compound and preparation method and application thereof 中国科学院广州生物医药与健康研究院 2020-06-23 — — CN disclosed
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