SCHEMBL5248995

SCHEMBL5248995

N#Cc1cccc(NN2C=C(C(N)=O)C=CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
GRM4 Q14833 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
FAAH O00519 1/20 0.37
GRM5 P41594 1/20 0.37
PDK1 Q15118 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
SCHEMBL9495360 0.89 HTT (0.44) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL5257296 0.83 MEN1 (0.42) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL9499235 0.81 MEN1 (0.39) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL9496926 0.80 POLB (0.43) KMT2AMEN1ALDH1A1HTT
SCHEMBL9497049 0.77
SCHEMBL9494442 0.75 NPC1 (0.40) KMT2AMEN1MAPTALDH1A1IDO1
SCHEMBL9498426 0.73
SCHEMBL5248993 0.71 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1IDO1
SCHEMBL9494592 0.71 NPC1 (0.43) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL9494540 0.70 KDM4E (0.31) KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1770093-A1 Pyrido¬2,3-d|pyrimidine derivatives as phosphodiesterase inhibitors Roche Palo Alto LLC (US) 2007-04-04 EP disclosed
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed