SCHEMBL9832219

SCHEMBL9832219

N#CC(C#N)=C1CCN(c2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
TP53 P04637 3/20 0.47
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 1/20 0.42
MAPK1 P28482 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9831161 0.84 ADRB1 (0.40) KDM4ETP53ALDH1A1MAPTMEN1
SCHEMBL9830313 0.84 MAPT (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL9829392 0.84 AKR1C3 (0.36) KDM4ETP53ALDH1A1MAPTMEN1
SCHEMBL9832286 0.84 MAOB (0.43) KDM4ETP53MAOB
SCHEMBL10407528 0.83 MAPT (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL9829774 0.83 MLYCD (0.34) KDM4ETP53ALDH1A1MEN1KMT2A
SCHEMBL9832896 0.82 BPTF (0.39) ALDH1A1MAPTMEN1KMT2AMAOB
SCHEMBL9831145 0.80 HTR3E (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL10407584 0.79 MAOB (0.31) MAOB
SCHEMBL9830459 0.79 MAPT (0.36) ALDH1A1MAPTKMT2AGAALMNA

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