SCHEMBL8483340

SCHEMBL8483340

Cc1nc(Nc2ccc(F)c(Cl)c2)c2nc(N3CCC(N)CC3)ncc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.59
ERBB2 P04626 3/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
CDK2 P24941 5/20 0.44
MAPKAPK2 P49137 5/20 0.44
KDR P35968 2/20 0.44
LCK P06239 1/20 0.44
CHEK2 O96017 1/20 0.44
CDK1 P06493 1/20 0.44
CSNK1D P48730 1/20 0.44
CDK5 Q00535 1/20 0.44
MAPKAPK3 Q16644 1/20 0.44
BCL6 P41182 4/20 0.44
SOS1 Q07889 1/20 0.41
GRM1 Q13255 1/20 0.40
BRAF P15056 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL8317479 0.87 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6988633 0.84 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6993907 0.82 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997654 0.81 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991747 0.80 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488643 0.79 EGFR (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488253 0.79 EGFR (0.56) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990205 0.78 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989673 0.78 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL8484863 0.78 EGFR (0.66) 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