SCHEMBL28851455

SCHEMBL28851455

O=CNc1ccc(F)c2c1[nH]c1cc(CCO)ccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.39
▸ JAK2 O60674 2/20 0.34
▸ MAOA P21397 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ GLI1 P08151 1/20 0.30
▸ GLI2 P10070 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CAMK2B Q13554 1/20 0.30
▸ CAMK2G Q13555 1/20 0.30
▸ CAMK2D Q13557 1/20 0.30
▸ CAMK2A Q9UQM7 1/20 0.30

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
SCHEMBL28166025 0.77 CDK4 (0.47) BTKCCNE2CDK4CCND1CCNE1
SCHEMBL28851457 0.76 BTK (0.52) BTKJAK2CDK2
SCHEMBL28202384 0.76 MAOA (0.39) MAOADYRK1ACDK4CCND1CDK2
SCHEMBL28166035 0.76 CDK4 (0.43) DYRK1ACCNE2CDK4CCND1CCNE1
SCHEMBL28177392 0.71 ALDH1A1 (0.38) DYRK1ACCNE2CDK4CCND1CCNE1
SCHEMBL2313068 0.67 KIF11 (0.48) MAOADYRK1A
SCHEMBL16320377 0.67 BTK (0.54) BTKJAK2
SCHEMBL28848039 0.65 PKM (0.35) BTK
SCHEMBL28203028 0.62 CDK4 (0.48) MAOADYRK1ACCNE2CDK4CCND1
SCHEMBL2307656 0.62 ALDH1A1 (0.49) MAOADYRK1A

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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