SCHEMBL5248993

SCHEMBL5248993

N#Cc1cccc(NN2C=CC=C(C(N)=O)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NAMPT P43490 1/20 0.39
IDO1 P14902 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.38
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38
HIF1A Q16665 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
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 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
SCHEMBL9495354 0.89 HTT (0.44) KMT2AMAPTMEN1ALDH1A1NAMPT
SCHEMBL9499230 0.81 TSHR (0.39) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL5257293 0.81 MEN1 (0.41) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL9496918 0.80 KMT2A (0.42) KMT2AMEN1ALDH1A1HTTTP53
SCHEMBL5253142 0.79 MEN1 (0.43) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL9497044 0.78
SCHEMBL9494438 0.75 EPHX1 (0.40) KMT2AMAPTMEN1ALDH1A1IDO1
SCHEMBL5248995 0.71 KMT2A (0.41) KMT2AMAPTMEN1ALDH1A1IDO1
SCHEMBL9494589 0.70 NPC1 (0.45) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL5252939 0.70 RAB9A (0.45) KMT2AMAPTMEN1ALDH1A1LMNA

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