SCHEMBL11295060

SCHEMBL11295060

COCCOc1cc2cc(C(=O)Nc3cc(C(=O)NCCCc4cccc(N)c4)ccc3Cl)c(=O)[nH]c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.53
▸ DYRK1B Q9Y463 13/20 0.53
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 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
SCHEMBL11299347 0.86 DYRK1A (0.54) DYRK1ADYRK1BMEN1KMT2ASMN1; SMN2
SCHEMBL11301913 0.85 DYRK1A (0.57) DYRK1ADYRK1BMEN1KMT2ASMN1; SMN2
SCHEMBL10319618 0.84 DYRK1A (0.67) DYRK1ADYRK1B
SCHEMBL11296377 0.83 DYRK1A (0.61) DYRK1ADYRK1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL11298554 0.82 DYRK1A (0.79) DYRK1ADYRK1B
SCHEMBL10319359 0.81 DYRK1A (0.58) DYRK1ADYRK1B
SCHEMBL10318579 0.81 DYRK1A (0.69) DYRK1ADYRK1BALDH1A1
SCHEMBL11295058 0.80 DYRK1A (0.48) DYRK1ADYRK1BCNR2
SCHEMBL11303286 0.80 DYRK1A (0.55) DYRK1ADYRK1B
SCHEMBL10321602 0.80 DYRK1A (0.55) DYRK1ADYRK1BKDM4EALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO claimed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
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