SCHEMBL28778610

SCHEMBL28778610

CCOC(=O)N1CCN(c2ccccc2-c2nc(N)nc(Nc3ccc4oc(=O)[nH]c4c3)c2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 8/20 0.40
▸ JAK3 P52333 8/20 0.40
▸ JAK2 O60674 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ ATXN2 Q99700 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL28778620 0.91 JAK1 (0.42) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778616 0.91 JAK1 (0.42) JAK1JAK3JAK2CYP3A4ALDH1A1
SCHEMBL28778631 0.86 MTOR (0.36) JAK1JAK3JAK2CYP3A4USP2
SCHEMBL28778600 0.84 JAK1 (0.41) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778532 0.83 JAK1 (0.43) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28944378 0.83 JAK1 (0.41) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778598 0.83 JAK1 (0.41) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778723 0.82 JAK1 (0.41) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778536 0.81 JAK1 (0.42) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL28778533 0.81 JAK1 (0.41) JAK1JAK3JAK2CYP3A4SYK

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-114698370-A Compounds and methods for treating cytokine release syndrome 里格尔药品股份有限公司 2022-07-01 — — CN disclosed
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