SCHEMBL4534304

SCHEMBL4534304

Cn1cnc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.63
EGFR P00533 15/20 0.62
AURKB Q96GD4 3/20 0.60
ERBB4 Q15303 2/20 0.60
CHEK2 O96017 1/20 0.60
ROS1 P08922 1/20 0.60
FLT3 P36888 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
TTBK1 Q5TCY1 1/20 0.52
TTBK2 Q6IQ55 1/20 0.52
INCENP Q9NQS7 1/20 0.51

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
SCHEMBL4534301 0.86 ERBB2 (0.60) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL4560679 0.84 ERBB2 (0.60) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7890142 0.82 EGFR (0.67) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7004234 0.81 ERBB2 (0.55) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7886632 0.81 ERBB2 (0.70) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7888585 0.81 EGFR (0.61) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7888548 0.80 ERBB2 (0.71) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL3320217 0.80 ERBB2 (0.69) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7004232 0.80 ERBB2 (0.56) ERBB2EGFRAURKBERBB4CHEK2
SCHEMBL7008227 0.80 ERBB2 (0.65) ERBB2EGFRAURKBERBB4CHEK2

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-6169091-B1 TREATMENT OF PSORIASIS, FIBROSIS, ATHEROSCLEROSIS, RESTENOSIS, AUTO-IMMUNE DISEASE, ALLERGY, ASTHMA GLAXO WELLCOME INC. 2001-01-02 US claimed
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
US-6169091-B1 TREATMENT OF PSORIASIS, FIBROSIS, ATHEROSCLEROSIS, RESTENOSIS, AUTO-IMMUNE DISEASE, ALLERGY, ASTHMA GLAXO WELLCOME INC. 2001-01-02 US disclosed