SCHEMBL29987427

SCHEMBL29987427

NC(=O)c1ccc(NC2CCCCC2)nc1Nc1ccc(N2CCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 18/20 0.64
▸ BTK Q06187 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ ADRB1 P08588 1/20 0.47
▸ PRKD1 Q15139 1/20 0.47
▸ PRKD2 Q9BZL6 1/20 0.47

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
SCHEMBL28881306 1.00 SYK (0.64) SYKBTKKCNH2ADRB1PRKD1
SCHEMBL28881308 0.83 SYK (0.54) SYK
SCHEMBL28881298 0.83 SYK (0.52) SYKKCNH2
SCHEMBL29987508 0.83 SYK (0.52) SYKKCNH2
SCHEMBL736827 0.78 SYK (1.00) SYK
SCHEMBL2693903 0.77 SYK (0.73) SYK
SCHEMBL17009132 0.76 SYK (0.53) SYKADRB1PRKD1PRKD2
SCHEMBL737882 0.75 SYK (1.00) SYK
SCHEMBL16782334 0.75 SYK (0.85) SYKKCNH2
SCHEMBL893995 0.75 BTK (0.61) SYKBTKKCNH2

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-115304606-A Degradation agent for simultaneously targeting BTK and GSPT1 proteins 清华大学 2022-11-08 — — CN disclosed
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