SCHEMBL8487101

SCHEMBL8487101

Cc1nc(N[C@H]2CC[C@H](C(=O)N3CCOCC3)CC2)nc2c(Nc3ccc(F)c(Cl)c3)ncnc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.54
ERBB2 P04626 7/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
CSNK2A1 P68400 1/20 0.46
BTK Q06187 1/20 0.45
SYK P43405 2/20 0.42
ERBB4 Q15303 3/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL8487099 1.00 EGFR (0.54) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994172 0.88 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994175 0.88 EGFR (0.69) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6999193 0.84 EGFR (0.65) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8487455 0.83 EGFR (0.57) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8487459 0.83 EGFR (0.57) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8488224 0.82 EGFR (0.74) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6998610 0.81 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7001920 0.80 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314682 0.80 EGFR (0.57) EGFRERBB2HPGDHTTCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0885227-A1 PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997032882-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