SCHEMBL2582023

SCHEMBL2582023

Cc1cccc(C)c1-c1ccc2nc(Nc3ccc(OCCC4CCCN4)cc3)ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.53
YES1 P07947 3/20 0.50
PDGFRB P09619 3/20 0.50
EPHB4 P54760 2/20 0.50
BRAF P15056 3/20 0.49
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
LYN P07948 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
FGFR1 P11362 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDR P35968 1/20 0.44
CSK P41240 1/20 0.44
BLK P51451 1/20 0.44
MAP2K1 Q02750 1/20 0.44

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
SCHEMBL230249 0.81 SRC (0.77) SRCYES1PDGFRBEPHB4BRAF
SCHEMBL5501154 0.80 SRC (0.69) SRCYES1PDGFRBEPHB4BRAF
SCHEMBL2580765 0.79 SRC (0.46) SRCYES1PDGFRBEPHB4BRAF
SCHEMBL28931702 0.77 EGFR (0.46) YES1PDGFRBEPHB4EGFRCYP2D6
SCHEMBL226165 0.76 SRC (0.55) SRCYES1PDGFRBEPHB4BRAF
SCHEMBL226164 0.76 SRC (0.55) SRCYES1PDGFRBEPHB4BRAF
SCHEMBL3965200 0.76 AXL (0.41) SRCYES1PDGFRBEPHB4KDR
SCHEMBL3969743 0.74 AXL (0.42) YES1PDGFRBEPHB4
SCHEMBL29205086 0.74 JAK2 (0.48) YES1PDGFRBEPHB4EGFRKDR
SCHEMBL3964520 0.74 AXL (0.41) YES1PDGFRBEPHB4CYP3A4CYP2D6

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
EP-2381943-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS Fovea Pharmaceuticals (FR) 2011-11-02 EP disclosed