Sugi Predict

Sugi Predict / Compounds / SCHEMBL6993893

SCHEMBL6993893

SCHEMBL6993893

Cc1cc(F)ccc1Nc1nccc(N2CCc3ccccc3C2C)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.39
▸ PTK2 Q05397 1/20 0.38
▸ KDR P35968 3/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ GALR2 O43603 1/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ LCK P06239 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ ROCK1 Q13464 1/20 0.33

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
Hydrochloric Acid SCHEMBL6991973 0.99 EGFR (0.38) EGFRPTK2KDRSCN9AGALR2
SCHEMBL6991589 0.87 GALR2 (0.38) GALR2
Hydrochloric Acid SCHEMBL6994764 0.86 GALR2 (0.37) GALR2
SCHEMBL6995386 0.84 GALR2 (0.36) GALR2
Hydrochloric Acid SCHEMBL6993026 0.83 GALR2 (0.35) GALR2
SCHEMBL7000418 0.83 GALR2 (0.35) GALR2
Hydrochloric Acid SCHEMBL6993369 0.82 GALR2 (0.35) GALR2
SCHEMBL6991378 0.81 AXL (0.35) GALR2AXL
SCHEMBL6997579 0.81 AXL (0.35) GALR2AXL
Hydrochloric Acid SCHEMBL6993609 0.80 AXL (0.34) GALR2AXL

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