SCHEMBL13623901

SCHEMBL13623901

O=C(NCCN1CCNC1=O)c1cccc(-n2ncc3cc(O)ccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 14/20 0.56
MAPK8 P45983 10/20 0.56
MAPK13 O15264 3/20 0.52
MAPK12 P53778 3/20 0.52
MAPK11 Q15759 3/20 0.52
MAPK14 Q16539 3/20 0.52
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGDS O60760 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
CREBBP Q92793 1/20 0.43
POLR1A O95602 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
SCHEMBL13623899 0.86 MAPK10 (0.57) MAPK10MAPK8MAPK13MAPK12MAPK11
SCHEMBL13623919 0.82 MAPK10 (0.67) MAPK10MAPK8MAPK13MAPK12MAPK11
SCHEMBL13624505 0.80 MAPK10 (0.55) MAPK10MAPK8MAPK13MAPK12MAPK11
SCHEMBL13624133 0.79 MAPK10 (0.54) MAPK10MAPK8MAPK13MAPK12MAPK11
SCHEMBL3149920 0.77 NR3C1 (0.66)
SCHEMBL13624667 0.77 MAPK10 (0.51) MAPK10MAPK8MAPK13MAPK12MAPK11
SCHEMBL13624506 0.73 SMO (0.48) MAPK10MAPK8MAPK13MAPK12MAPK11
SCHEMBL13624663 0.72 MAPK10 (0.49) MAPK10MAPK8KMT2AHPGDSKDM4E
SCHEMBL1402380 0.72 RAB9A (0.76) RAB9AKMT2AHPGDSKDM4EALDH1A1
SCHEMBL18013554 0.72 NR3C1 (0.55) MAPK10MAPK8MAPK13MAPK12MAPK11

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
WO-2009142569-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 WO disclosed