SCHEMBL13844488

SCHEMBL13844488

CC1CCOc2cc3ncnc(-c4nnn[nH]4)c3cc2OCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.36
EGFR P00533 17/20 0.34
ENPP1 P22413 1/20 0.33
ABL1 P00519 2/20 0.31
PDGFRB P09619 2/20 0.31
FGFR1 P11362 2/20 0.31
SRC P12931 2/20 0.31

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
SCHEMBL2835023 0.70 KIT (0.46) KITEGFRENPP1SRC
SCHEMBL13844485 0.67 CLK1 (0.54) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL2840274 0.66 ENPP1 (0.49) KITEGFRENPP1SRC
SCHEMBL24393381 0.62 EGFR (0.46) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL1012990 0.59 EGFR (0.52) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL16253984 0.58 EGFR (0.49) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL24391745 0.58 EGFR (0.43) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL20865361 0.57 EGFR (0.48) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL20865317 0.57 CLK4 (0.44) EGFRABL1PDGFRBFGFR1SRC
SCHEMBL3520125 0.57 CLK4 (0.62) EGFRABL1PDGFRBFGFR1SRC

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
WO-2009057139-A2 NOVEL 4-(TETRAZOL-5-YL)-QUINAZOLINE DERIVATIVES AS ANTI CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-05-07 WO disclosed