SCHEMBL8231622

SCHEMBL8231622

COc1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)nn1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 17/20 0.63
▸ KMT2A Q03164 2/20 0.54
▸ PPARG P37231 1/20 0.54
▸ NR2E3 Q9Y5X4 1/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8199410 0.88 ADK (0.59) ADKKMT2APPARGNR2E3NCOR2
SCHEMBL2038381 0.86 ADK (0.71) ADKKMT2APPARGNR2E3NCOR2
SCHEMBL8192643 0.84 ADK (0.60) ADKKMT2APPARGNR2E3NCOR2
SCHEMBL2042063 0.84 ADK (0.74) ADK
SCHEMBL8234013 0.83 ADK (0.53) ADKKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8185017 0.82 PPARG (0.79) ADKKMT2APPARGNR2E3NCOR2
SCHEMBL8144679 0.82 ADK (0.66) ADKKMT2APPARGNR2E3NCOR2
SCHEMBL2038412 0.81 ADK (0.63) ADK
SCHEMBL2036000 0.80 ADK (0.64) ADKKMT2APPARGNR2E3NCOR2
SCHEMBL2036874 0.80 ADK (0.55) ADKKMT2AKDM4EMEN1ALDH1A1

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-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO disclosed
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