SCHEMBL8874014

SCHEMBL8874014

c1ncc2cc3ncncc3cc2n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.58
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
FGFR4 P22455 1/20 0.40
TDO2 P48775 2/20 0.39
IMPDH2 P12268 2/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
AR P10275 1/20 0.35
BAZ1A Q9NRL2 1/20 0.34
NOTUM Q6P988 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
SCHEMBL4985353 0.86 EGFR (0.65) EGFRPIK3CDPIK3CATDO2IMPDH2
SCHEMBL31124778 0.86 EGFR (0.65) EGFRPIK3CDPIK3CATDO2IMPDH2
Hydroquinone SCHEMBL8878778 0.86 EGFR (0.52) EGFRPIK3CDPIK3CAFGFR4TDO2
Benzoquinone SCHEMBL8874151 0.86 EGFR (0.47) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL29551582 0.83 EGFR (0.48) EGFRPIK3CDPIK3CAFGFR4
SCHEMBL2190665 0.83 EGFR (0.48) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL8404388 0.83 EGFR (0.48) EGFRPIK3CDPIK3CAFGFR4IMPDH2
SCHEMBL7222157 0.83 EGFR (0.59) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL28181384 0.83 EGFR (0.48) EGFRPIK3CDPIK3CAFGFR4
SCHEMBL9729774 0.82 CLK1 (0.61) EGFRPIK3CDPIK3CACSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639881-A ANTITUMOR AGENTS, TREATMENT OF BREAST CANCER ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1997-06-17 US claimed
JP-7309873-A None JP disclosed
US-5639881-A ANTITUMOR AGENTS, TREATMENT OF BREAST CANCER ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1997-06-17 US disclosed
US-5639881-A ANTITUMOR AGENTS, TREATMENT OF BREAST CANCER ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1997-06-17 US disclosed
JP-H07309873-A PYRIMIDO(4,5-G)QUINAZOLINE DERIVATIVE UNIV ARIZONA FOUND 1995-11-28 JP disclosed
EP-0541404-A2 Pyrimido(4,5-g)quinazoline derivatives with anti-tumour activity ARIZONA BOARD OF REGENTS (US) 1993-05-12 EP disclosed
EP-0541404-A2 Pyrimido(4,5-g)quinazoline derivatives with anti-tumour activity ARIZONA BOARD OF REGENTS (US) 1993-05-12 EP disclosed