SCHEMBL9830607

SCHEMBL9830607

N#CC(C#N)=C1CCN(c2cc(Br)ccc2Br)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
ADRA1B P35368 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
DRD4 P21917 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.30
ASIC3 Q9UHC3 1/20 0.30
P2RX3 P56373 2/20 0.30
P2RX2 Q9UBL9 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9830985 0.89 MAPT (0.33) CTSLCTSBCTSSCTSKDRD4
SCHEMBL9832133 0.84
SCHEMBL9830242 0.82 MGLL (0.34) MAPTL3MBTL1
SCHEMBL9829392 0.79 AKR1C3 (0.36) MAPT
SCHEMBL9831488 0.78 AR (0.32) MAPT
SCHEMBL9830872 0.78
SCHEMBL9831691 0.77 MGLL (0.37) MAPTTDP1L3MBTL1
SCHEMBL9831395 0.77 NOTUM (0.31)
SCHEMBL9829964 0.76
SCHEMBL9829736 0.75

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