SCHEMBL7717893

SCHEMBL7717893

O=C1Cc2ccc(F)cc2N1.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.59
CMA1 P23946 2/20 0.59
EIF2AK2 P19525 1/20 0.58
PDK2 Q15119 1/20 0.52
TDP2 O95551 1/20 0.50
MAOB P27338 2/20 0.47
HTR5A P47898 2/20 0.46
CRBN Q96SW2 3/20 0.45
HDAC3 O15379 1/20 0.44
SRD5A1 P18405 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 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
SCHEMBL260027 0.98 AHR (0.61) AHRCMA1EIF2AK2PDK2TDP2
SCHEMBL30648196 0.98 AHR (0.61) AHRCMA1EIF2AK2PDK2TDP2
Methylamine SCHEMBL28014455 0.93 AHR (0.56) AHRCMA1EIF2AK2PDK2TDP2
SCHEMBL5843103 0.85 CRBN (0.57) AHRCMA1EIF2AK2PDK2TDP2
SCHEMBL152963 0.82 AHR (0.61) AHRCMA1PDK2TDP2MAOB
SCHEMBL29754281 0.81 CA9 (0.62) MAOBHTR5ACRBNSRD5A1KMT2A
SCHEMBL4102521 0.81 CA9 (0.62) MAOBHTR5ACRBNSRD5A1KMT2A
SCHEMBL7505614 0.79 MAPT (0.59) AHRCMA1HTR5ACRBNSRD5A1
SCHEMBL8031052 0.78 HTR5A (0.44) AHRCMA1EIF2AK2TDP2HTR5A
SCHEMBL4413360 0.76 CCNB2 (0.54) AHRCMA1EIF2AK2PDK2TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233943-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS Sugen, Inc. (US) 2002-08-28 EP disclosed
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 WO disclosed
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 WO disclosed