SCHEMBL31352847

SCHEMBL31352847

COC(=O)c1cc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c(OC2CC2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 8/20 0.46
▸ GPR119 Q8TDV5 1/20 0.41
▸ IKBKE Q14164 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ PDE4D Q08499 3/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ EED O75530 1/20 0.38
▸ RBBP4 Q09028 1/20 0.38
▸ SUZ12 Q15022 1/20 0.38
▸ EZH2 Q15910 1/20 0.38
▸ AEBP2 Q6ZN18 1/20 0.38
▸ KCNH2 Q12809 5/20 0.38
▸ NTRK1 P04629 4/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ NTRK2 Q16620 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
SCHEMBL30590963 1.00 PDE4B (0.46) PDE4BGPR119IKBKETBK1PDE4D
SCHEMBL26114272 0.91 PDE4B (0.46) PDE4BGPR119IKBKETBK1PDE4D
SCHEMBL26112777 0.88 KDM4E (0.42) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL30590958 0.86 PDE4B (0.44) PDE4BGPR119IKBKETBK1PDE4D
SCHEMBL21612813 0.82 PDE4D (0.49) PDE4BGPR119PDE4DPDE4APDE4C
SCHEMBL23355410 0.81 PDE4B (0.46) PDE4BGPR119PDE4DPDE4APDE4C
SCHEMBL28983485 0.77 GPR119 (0.50) PDE4BGPR119PDE4DPDE4APDE4C
SCHEMBL31078732 0.76 IKBKE (0.41) PDE4BIKBKETBK1EEDRBBP4
SCHEMBL30590936 0.75 PIK3CD (0.46) PDE4BGPR119IKBKETBK1PDE4D
SCHEMBL31352779 0.75 PIK3CD (0.45) PDE4BGPR119IKBKETBK1KCNH2

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-119325471-A EGFR inhibitors 缆图药品公司 2025-01-17 — — CN disclosed
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