SCHEMBL9832154

SCHEMBL9832154

CCOC(=O)CCNc1cc(Br)cc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
TOP2A P11388 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
EGFR P00533 1/20 0.43
ERBB3 P21860 1/20 0.43
GPR35 Q9HC97 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9831986 0.86 TOP2A (0.45) CYP1A2CYP2C19CYP3A4TOP2AALDH1A1
SCHEMBL10290769 0.86 TOP2A (0.45) CYP1A2CYP2C19CYP3A4TOP2AALDH1A1
SCHEMBL2542902 0.85 EGFR (0.56) CYP1A2CYP2C19CYP3A4TOP2AALDH1A1
SCHEMBL9831233 0.84 MAPT (0.54) CYP1A2CYP2C19CYP3A4TOP2AALDH1A1
SCHEMBL4865806 0.83 TOP2A (0.48) TOP2AALDH1A1MAPTKMT2AMGAM
SCHEMBL16302283 0.83 TOP2A (0.48) CYP1A2TOP2AALDH1A1MAPTMGAM
SCHEMBL9831051 0.83 TOP2A (0.51) CYP1A2CYP2C19CYP3A4TOP2AALDH1A1
SCHEMBL9830975 0.82 TOP2A (0.47) CYP1A2CYP2C19CYP3A4TOP2AALDH1A1
SCHEMBL8880107 0.81 L3MBTL1 (0.46) TOP2AALDH1A1MAPTHPGDKMT2A
SCHEMBL9830974 0.81 TOP2A (0.46) CYP1A2TOP2AALDH1A1MAPTMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed