SCHEMBL29704418

SCHEMBL29704418

COC(=O)c1ccc2c(n1)c(Br)nn2C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.40
▸ CREBBP Q92793 3/20 0.37
▸ MAPK1 P28482 2/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ KCNJ6 P48051 2/20 0.35
▸ KCNJ5 P48544 2/20 0.35
▸ KCNJ3 P48549 2/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ BRD4 O60885 2/20 0.33

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
SCHEMBL19657727 1.00 PTGER4 (0.40) PTGER4CREBBPMAPK1SSTR4IRAK4
SCHEMBL31153524 0.86 CFTR (0.39) CREBBPMAPK1SSTR4KCNJ6KCNJ5
SCHEMBL26098592 0.81 PTGER4 (0.39) PTGER4CREBBPIRAK4KDM4CPRKDC
SCHEMBL31153458 0.78 TUBB4A (0.38) PTGER4CREBBPIRAK4KCNJ6KCNJ5
SCHEMBL23530017 0.78 PDE4D (0.41) PTGER4MAPK1IRAK4
SCHEMBL29550149 0.78 PDE4D (0.41) PTGER4MAPK1IRAK4
SCHEMBL29704358 0.77 CNR2 (0.46) CREBBPSSTR4OPRK1KDM4CPRKDC
SCHEMBL19644534 0.77 CNR2 (0.46) CREBBPSSTR4OPRK1KDM4CPRKDC
SCHEMBL19644454 0.76 OPRK1 (0.38) PTGER4MAPK1SSTR4IRAK4KCNJ6
SCHEMBL23529922 0.75 PTGER4 (0.42) PTGER4MAPK1ALDH1A1HPGDHSD17B10

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-115028617-A Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-09-09 — — CN disclosed
CN-109476641-B Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-07-05 — — CN disclosed
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