SCHEMBL3263609

SCHEMBL3263609

CN(C)CC=C(C(N)=O)c1ccc2ncnc(Nc3ccccc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
USP2 O75604 2/20 0.58
LMNA P02545 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CLK4 Q9HAZ1 2/20 0.58
ALDH1A1 P00352 2/20 0.58
EGFR P00533 9/20 0.51
KDM4E B2RXH2 3/20 0.50
FYN P06241 2/20 0.50
SRC P12931 2/20 0.50
HTT P42858 1/20 0.50
ERBB2 P04626 2/20 0.48
BRAF P15056 2/20 0.47
JAK3 P52333 1/20 0.47
ERBB4 Q15303 1/20 0.47
RAF1 P04049 1/20 0.47
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 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
SCHEMBL30512 0.80 EGFR (0.66) MAPK1USP2LMNACYP1A2CYP3A4
SCHEMBL3243684 0.78 EGFR (0.60) MAPK1USP2LMNACYP1A2CYP3A4
SCHEMBL31060919 0.78 EGFR (0.60) MAPK1USP2LMNACYP1A2CYP3A4
SCHEMBL12225353 0.78 CYP1A2 (0.66) MAPK1USP2LMNACYP1A2CYP3A4
SCHEMBL13599956 0.77 KDM4E (0.70) MAPK1USP2LMNACYP1A2CYP3A4
SCHEMBL25292702 0.76 EGFR (0.48) EGFRSRCERBB2ERBB4AURKB
SCHEMBL19121487 0.75 MAPK1 (0.62) MAPK1USP2LMNACYP1A2CYP3A4
SCHEMBL5116945 0.74 EGFR (0.80) EGFRFYNSRCERBB2JAK3
SCHEMBL3263605 0.74 EGFR (0.80) EGFRFYNSRCERBB2JAK3
SCHEMBL12225352 0.74 CLK4 (0.60) MAPK1USP2LMNACYP1A2CYP3A4

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
EP-1411993-B1 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2010-05-05 EP disclosed
EP-1673110-A2 RADIOLABELED ANILINOQUINAZOLINES AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-06-28 EP disclosed
WO-2005023315-A2 RADIOLABELED ANILINOQUINAZOLINES AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-03-17 WO disclosed