SCHEMBL8486556

SCHEMBL8486556

Cc1nc(N2CCC(C3CCNCC3)CC2)nc2c(Nc3ccc(F)c(Cl)c3)ncnc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.53
ERBB2 P04626 5/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
BCL6 P41182 1/20 0.46
KHK P50053 6/20 0.46
ERBB4 Q15303 1/20 0.44
KDR P35968 1/20 0.41
SOS1 Q07889 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
SCHEMBL8484645 0.91 EGFR (0.56) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488253 0.88 EGFR (0.56) EGFRERBB2MAPTHPGDHTT
SCHEMBL4353234 0.85 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL8486781 0.81 EGFR (0.57) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488091 0.77 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488112 0.77 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488839 0.77 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989673 0.76 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488129 0.76 EGFR (0.56) EGFRERBB2KDR
SCHEMBL6998926 0.76 EGFR (0.67) EGFRERBB2MAPTHPGDHTT

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