SCHEMBL9831986

SCHEMBL9831986

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
STING1 Q86WV6 2/20 0.38
TNF P01375 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL10290769 0.88 TOP2A (0.45) TOP2ACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9832154 0.86 CYP1A2 (0.46) TOP2ACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9828696 0.85 TOP2A (0.46) TOP2ACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9831031 0.82 POLB (0.43) CYP1A2CYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL16302283 0.82 TOP2A (0.48) TOP2ACYP1A2ALDH1A1MAPTMGAM
SCHEMBL4865806 0.82 TOP2A (0.48) TOP2AALDH1A1KMT2AMAPTMGAM
SCHEMBL9830975 0.81 TOP2A (0.47) TOP2ACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8880107 0.79 L3MBTL1 (0.46) TOP2AALDH1A1HPGDKMT2AMAPT
SCHEMBL9831233 0.79 MAPT (0.54) TOP2ACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9830974 0.79 TOP2A (0.46) TOP2ACYP1A2ALDH1A1MAPTMGAM

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