SCHEMBL6991378

SCHEMBL6991378

Cc1cc(F)ccc1Nc1nc(C)c(C)c(N2CCc3ccccc3C2C)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.35
GALR2 O43603 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
P2RX7 Q99572 1/20 0.33
HTT P42858 1/20 0.33
PFKFB3 Q16875 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL6997579 1.00 AXL (0.35) AXLGALR2RXFP1P2RX7HTT
Hydrochloric Acid SCHEMBL6991405 0.99 AXL (0.34) AXLGALR2RXFP1P2RX7HTT
Hydrochloric Acid SCHEMBL6991842 0.99 AXL (0.34) AXLGALR2RXFP1P2RX7HTT
Hydrochloric Acid SCHEMBL6993609 0.99 AXL (0.34) AXLGALR2RXFP1P2RX7HTT
SCHEMBL7825640 0.92 GALR2 (0.35) AXLGALR2P2RX7HTTKDM4E
Hydrochloric Acid SCHEMBL7159588 0.91 POLB (0.36) P2RX7PFKFB3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6158437 0.91 GALR2 (0.34) AXLGALR2P2RX7HTTKDM4E
Hydrochloric Acid SCHEMBL6161429 0.91 GALR2 (0.34) AXLGALR2P2RX7HTTKDM4E
SCHEMBL6969362 0.91 PIN1 (0.32) PFKFB3ALDH1A1
SCHEMBL6956691 0.90 PTK2 (0.40) HTTPFKFB3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP claimed