SCHEMBL9830985

SCHEMBL9830985

N#CC(C#N)=C1CCN(c2ccc(Br)cc2Br)C1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX3 P56373 3/20 0.32
P2RX2 Q9UBL9 3/20 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 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
ASIC3 Q9UHC3 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALOX15 P16050 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
SCHEMBL9830607 0.89 HTR1A (0.32) MAPTP2RX3P2RX2CTSLCTSB
SCHEMBL9832133 0.84
SCHEMBL9830242 0.82 MGLL (0.34) MAPTMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL9830872 0.81
SCHEMBL9829392 0.79 AKR1C3 (0.36) MAPTMEN1ALDH1A1KMT2A
SCHEMBL9831395 0.77 NOTUM (0.31)
SCHEMBL9831691 0.77 MGLL (0.37) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL9829964 0.76
SCHEMBL9830884 0.75 AKR1C3 (0.42) P2RX3P2RX2
SCHEMBL9831488 0.75 AR (0.32) MAPTMEN1ALDH1A1KMT2A

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