SCHEMBL6990938

SCHEMBL6990938

CS(=O)(=O)c1ncc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.54
KDR P35968 1/20 0.53
TEK Q02763 1/20 0.53
RIPK2 O43353 1/20 0.49
EPHB2 P29323 1/20 0.49
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45
ERBB2 P04626 4/20 0.44
ERBB4 Q15303 3/20 0.43
JAK3 P52333 2/20 0.43
GLO1 Q04760 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PGR P06401 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6996883 0.90 EGFR (0.51) EGFRKDRTEKRIPK2EPHB2
SCHEMBL6417047 0.90 EGFR (0.66) EGFRERBB2MKNK2HTT
SCHEMBL6998196 0.87 EGFR (0.57) EGFRMAPTMKNK2NPC1RAB9A
SCHEMBL6993612 0.87 EGFR (0.56) EGFRTTBK1TTBK2ERBB2ERBB4
SCHEMBL7090432 0.86 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL6989068 0.84 EGFR (0.57) EGFRERBB2ERBB4MKNK2
SCHEMBL8320237 0.81 EGFR (0.55) EGFRKDRNPC1HTTRAB9A
SCHEMBL30556170 0.81 EGFR (0.51) EGFRMKNK2
SCHEMBL6989584 0.81 EGFR (0.47) EGFRERBB2ERBB4MKNK2
SCHEMBL6992413 0.80 KDR (0.55) EGFRKDRTEKRIPK2EPHB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US disclosed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed