SCHEMBL9830459

SCHEMBL9830459

N#CC(C#N)=C1CCN(c2ccc(F)cc2F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36
NOTUM Q6P988 1/20 0.35
ADRA1B P35368 2/20 0.35
GRM5 P41594 2/20 0.34
PHGDH O43175 1/20 0.34
USP30 Q70CQ3 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
KCNH2 Q12809 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9831157 0.89 NOTUM (0.33) MAPTDPP4DPP9NOTUMADRA1B
SCHEMBL10408475 0.84 ALDH1A1 (0.33) MAPTUSP30ALDH1A1
SCHEMBL9831737 0.82 MEN1 (0.42) MAPTNOTUMALDH1A1KMT2ALMNA
SCHEMBL9832219 0.79 KDM4E (0.47) MAPTNOTUMUSP30ALDH1A1KMT2A
SCHEMBL9832896 0.77 BPTF (0.39) MAPTNOTUMALDH1A1KMT2ALMNA
SCHEMBL9830171 0.77 KDM4E (0.38) NOTUMADRA1BALDH1A1KMT2ASMN1; SMN2
SCHEMBL9832286 0.76 MAOB (0.43) GRM5
SCHEMBL9830884 0.75 AKR1C3 (0.42) NOTUMGRM5P2RX3P2RX2LMNA
SCHEMBL9829774 0.75 MLYCD (0.34) DPP4ADRA1BPHGDHALDH1A1KMT2A
SCHEMBL10407584 0.75 MAOB (0.31)

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