SCHEMBL8487596

SCHEMBL8487596

O=C(c1ccc(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)cc1)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.59
ERBB2 P04626 7/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 1/20 0.49
MKNK2 Q9HBH9 3/20 0.48
MKNK1 Q9BUB5 2/20 0.48
ERBB4 Q15303 2/20 0.47
JAK3 P52333 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
SRC P12931 1/20 0.47
BLK P51451 1/20 0.47
BTK Q06187 1/20 0.47
ITK Q08881 1/20 0.47
JAK2 O60674 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CSNK2A1 P68400 2/20 0.46

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
SCHEMBL8488002 0.92 LRRK2 (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8798694 0.84 EGFR (0.63) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990967 0.83 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995214 0.83 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL7001919 0.81 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL7001920 0.81 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314787 0.79 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990337 0.79 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317835 0.79 EGFR (0.56) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317593 0.78 EGFR (0.70) EGFRERBB2HPGDHTTMAPT

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