SCHEMBL29190407

SCHEMBL29190407

COc1ccc(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 2/20 0.45
▸ NR3C1 P04150 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ DDB1 Q16531 1/20 0.43
▸ LMNA P02545 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CFTR P13569 2/20 0.40
▸ PDK1 Q15118 1/20 0.40

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
SCHEMBL24735127 0.97 CRBN (0.47) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL30158207 0.97 CRBN (0.47) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL30612355 0.94 MEN1 (0.51) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL24735228 0.94 MEN1 (0.51) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL30148829 0.92 CRBN (0.42) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL21409182 0.89 KMT2A (0.50) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL25941790 0.89 CRBN (0.47) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL30009045 0.89 PDE4B (0.47) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL21409304 0.89 PDE4B (0.47) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL30278930 0.88 PDE4A (0.45) CRBNNR3C1PGRSLC6A4KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936498-B N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-04-16 — — CN disclosed
CN-111936498-A N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2020-11-13 — — CN disclosed
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