SCHEMBL28334447

SCHEMBL28334447

CC(C)(O)C1CCc2c([nH]c3c(NC=O)cccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ TEC P42680 1/20 0.47
▸ TXK P42681 1/20 0.47
▸ BMX P51813 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ ITK Q08881 1/20 0.47
▸ ERBB4 Q15303 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
SCHEMBL28336807 0.81 BTK (0.49) BTKJAK2LCKTECTXK
SCHEMBL29785261 0.77 ALOX15 (0.58) BTKJAK2LCKTECTXK
SCHEMBL29564600 0.77 ALOX15 (0.58) BTKJAK2LCKTECTXK
SCHEMBL28336845 0.74 GFER (0.54) BTK
SCHEMBL18976056 0.72 BTK (0.78) BTKJAK2LCKTECTXK
SCHEMBL28334523 0.69 PABPC1 (0.36) —
SCHEMBL20303901 0.64 BTK (0.52) BTKJAK2
SCHEMBL11274877 0.64 NR1H2 (0.41) BTKJAK2
SCHEMBL28164562 0.63 AHR (0.53) BTKTECTXKBMXJAK3
SCHEMBL1375257 0.62 NR1H2 (0.60) BTKJAK2

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-110312713-A Process for preparing tetrahydrocarbazole carboxamide compounds 百时美施贵宝公司 2019-10-08 — — CN disclosed
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