SCHEMBL9535264

SCHEMBL9535264

Sc1cnc2cncnc2c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.36
PIK3CD O00329 1/20 0.33
PIK3CA P42336 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
SCHEMBL127479 0.77 EGFR (0.50) EGFRPIK3CDPIK3CA
SCHEMBL28003243 0.74 EGFR (0.48) EGFRPIK3CDPIK3CA
SCHEMBL30466588 0.73 DYRK1A (0.41) EGFRPIK3CDPIK3CA
SCHEMBL392075 0.73 EGFR (0.35) EGFRPIK3CDPIK3CA
SCHEMBL5763741 0.73 EGFR (0.53) EGFRPIK3CDPIK3CA
SCHEMBL12909563 0.73 CYP1A2 (0.42) EGFRPIK3CDPIK3CA
SCHEMBL3970860 0.73 MAP4K4 (0.38) EGFRPIK3CDPIK3CA
SCHEMBL21936740 0.70 EGFR (0.60) EGFRPIK3CDPIK3CA
SCHEMBL22778437 0.68 DGAT1 (0.39) EGFRPIK3CDPIK3CA
SCHEMBL10077307 0.68 EGFR (0.33) EGFRPIK3CDPIK3CA

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-0312794-B1 THIAZETIDINE DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-05-19 EP disclosed
EP-0312794-A1 Thiazetidine derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1989-04-26 EP disclosed