SCHEMBL4538845

SCHEMBL4538845

CC(Nc1ncnc2cc3ccccc3cc12)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.70
KRAS P01116 3/20 0.70
SOS1 Q07889 2/20 0.70
GALR3 O60755 1/20 0.69
NR2F2 P24468 1/20 0.69
TNF P01375 1/20 0.56
RAB9A P51151 1/20 0.56
NOD1 Q9Y239 1/20 0.56
LMNA P02545 1/20 0.55
DYRK1A Q13627 2/20 0.53
PIK3CA P42336 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL4538841 1.00 EGFR (0.70) EGFRKRASSOS1GALR3NR2F2
Hydrochloric Acid SCHEMBL7222514 0.99 EGFR (0.68) EGFRKRASSOS1GALR3NR2F2
Hydrochloric Acid SCHEMBL7222518 0.99 EGFR (0.68) EGFRKRASSOS1GALR3NR2F2
Hydrochloric Acid SCHEMBL7222481 0.97 EGFR (0.67) EGFRKRASSOS1GALR3NR2F2
Hydrochloric Acid SCHEMBL7222486 0.97 EGFR (0.67) EGFRKRASSOS1GALR3NR2F2
SCHEMBL17181108 0.82 GALR3 (1.00) EGFRKRASSOS1GALR3NR2F2
SCHEMBL5312802 0.82 GALR3 (1.00) EGFRKRASSOS1GALR3NR2F2
SCHEMBL31505705 0.82 GALR3 (0.72) EGFRKRASSOS1GALR3NR2F2
SCHEMBL13283262 0.82 GALR3 (0.72) EGFRKRASSOS1GALR3NR2F2
SCHEMBL31505701 0.82 GALR3 (0.72) EGFRKRASSOS1GALR3NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 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