SCHEMBL19402679

SCHEMBL19402679

Fc1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.79
EGFR P00533 14/20 0.75
ERBB4 Q15303 5/20 0.75
MEN1 O00255 1/20 0.75
RGS12 O14924 1/20 0.75
GMNN O75496 1/20 0.75
ALDH1A1 P00352 1/20 0.75
LMNA P02545 1/20 0.75
RAF1 P04049 1/20 0.75
TP53 P04637 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2D6 P10635 1/20 0.75
MAPT P10636 1/20 0.75
CYP2C9 P11712 1/20 0.75
HPGD P15428 1/20 0.75
ALOX15 P16050 1/20 0.75
NFKB1 P19838 1/20 0.75
APEX1 P27695 1/20 0.75
MAPK1 P28482 1/20 0.75

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
SCHEMBL11902769 0.92 ERBB2 (0.67) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL3318947 0.89 ERBB2 (0.80) ERBB2EGFRERBB4MEN1RGS12
Hydrochloric Acid SCHEMBL3320040 0.88 ERBB2 (0.79) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL31061501 0.87 ERBB2 (0.76) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL8561085 0.87 ERBB2 (0.76) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL6768111 0.87 ERBB2 (0.76) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL27449188 0.86 ERBB2 (0.70) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL7013743 0.86 ERBB2 (0.75) ERBB2EGFRERBB4MEN1RGS12
Gw282974X SCHEMBL1737530 0.86 ERBB2 (1.00) ERBB2EGFRERBB4MEN1RGS12
SCHEMBL7008597 0.86 ERBB2 (0.75) ERBB2EGFRERBB4MEN1RGS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170274075-A1 THERAPEUTIC AND RESEARCH APPLICATION OF PDCL3 TRUSTEES OF BOSTON UNIVERSITY (US) 2017-09-28 US disclosed