SCHEMBL28052447

SCHEMBL28052447

c1cc(Cc2ncc[nH]2)c2cc[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.63
▸ ADRA2B P18089 1/20 0.63
▸ ADRA2C P18825 1/20 0.63
▸ TAAR1 Q96RJ0 8/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ PIK3CD O00329 1/20 0.41
▸ AHR P35869 2/20 0.41
▸ GPR52 Q9Y2T5 1/20 0.40
▸ DAO P14920 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ KRAS P01116 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9217335 0.81 GPR84 (0.62) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL2366649 0.79 ADRA2A (0.97) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL28103549 0.79 ADRA2A (0.69) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL8946914 0.76 ADRA2A (0.61) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL8051573 0.75 ADRA2A (0.59) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL955969 0.74 ADRA2A (0.67) ADRA2AADRA2BADRA2CTAAR1HTR1A
Hydrochloric Acid SCHEMBL29751822 0.73 ADRA2A (0.62) ADRA2AADRA2BADRA2CTAAR1HTR1A
SCHEMBL8051283 0.73 AHR (0.50) PIK3CDAHRDAOBCHEMEN1
SCHEMBL7330556 0.73 MEN1 (0.62) AHRDAOMEN1CYP3A4MAPT
SCHEMBL955122 0.72 TAAR1 (0.68) ADRA2AADRA2BADRA2CTAAR1HTR1A

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
CN-105229003-A 2- (1H-indol-4-ylmethyl) -3H-imidazo [4,5-B ] pyridine-6-carbonitrile derivatives as complement factor B inhibitors for the treatment of ophthalmic diseases NOVARTIS AG 2016-01-06 — — CN disclosed
CN-105229003-A 2- (1H-indol-4-ylmethyl) -3H-imidazo [4,5-B ] pyridine-6-carbonitrile derivatives as complement factor B inhibitors for the treatment of ophthalmic diseases NOVARTIS AG 2016-01-06 — — CN disclosed
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