SCHEMBL28851457

SCHEMBL28851457

NC(=O)c1ccc(F)c2c1[nH]c1cc(CCO)ccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.52
▸ JAK2 O60674 6/20 0.51
▸ AURKA O14965 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ TEC P42680 1/20 0.41
▸ TXK P42681 1/20 0.41
▸ BMX P51813 1/20 0.41
▸ ITK Q08881 1/20 0.41

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
SCHEMBL16320377 0.85 BTK (0.54) BTKJAK2
SCHEMBL28166026 0.78 BTK (0.52) BTK
SCHEMBL28851455 0.76 BTK (0.39) BTKJAK2CDK2
SCHEMBL28166036 0.76 BTK (0.50) BTKJAK2
SCHEMBL122351 0.76 BTK (0.63) BTKJAK2AURKALCKLYN
SCHEMBL149527 0.75 BTK (0.47) BTKJAK2
SCHEMBL148464 0.72 BTK (0.43) BTKJAK2AURKALCKLYN
SCHEMBL18976381 0.71 BTK (0.43) BTKJAK2
SCHEMBL21917299 0.70 BTK (0.80) BTKJAK2
SCHEMBL28054157 0.69 PIM1 (0.46) 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-105358546-B The tetrahydro carbazole being substituted and carbazole carboxamide compounds useful as kinase inhibitor 百时美施贵宝公司 2017-10-31 — — CN disclosed
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