SCHEMBL6662659

SCHEMBL6662659

Cc1ccc2ncnc(Nc3ccccc3-c3ccccc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.67
MAPK1 P28482 3/20 0.67
KDM4E B2RXH2 1/20 0.67
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
CYP2C9 P11712 2/20 0.49
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
CD38 P28907 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL6666099 0.81 HTT (0.68) HTTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL2101381 0.80 HTT (1.00) HTTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL6662890 0.80 SMN1; SMN2 (0.74) HTTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL5564779 0.78 HTT (0.64) HTTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL6664779 0.78 HTT (0.64) HTTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL5564611 0.77 KDR (0.71) HTTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL6668497 0.77 KDM4E (0.60) HTTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL5564640 0.76 HTT (0.62) HTTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL5564490 0.75 HTT (0.61) HTTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL5568271 0.75 HTT (0.65) HTTMAPK1KDM4ELMNASMN1; SMN2

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
WO-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 WO claimed
WO-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 WO disclosed