SCHEMBL7951301

SCHEMBL7951301

COc1ccc(CNc2ncc3ncncc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.50
EGFR P00533 3/20 0.49
POLB P06746 1/20 0.49
NR2F2 P24468 1/20 0.49
APP P05067 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CLK4 Q9HAZ1 3/20 0.46
DYRK1A Q13627 2/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL8127484 0.81 EGFR (0.50) VNN1EGFRNR2F2APPMEN1
SCHEMBL5823848 0.78 APP (0.60) VNN1EGFRPOLBNR2F2APP
SCHEMBL27429524 0.78 VNN1 (0.61) VNN1EGFRPOLBNR2F2MEN1
SCHEMBL29975310 0.76 EGFR (0.61) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL29911298 0.74 MEN1 (0.52) VNN1EGFRAPPMEN1KMT2A
SCHEMBL18571985 0.74 MEN1 (0.52) VNN1EGFRAPPMEN1KMT2A
SCHEMBL21046947 0.73 VNN1 (0.64) VNN1APPMEN1KMT2ACLK4
SCHEMBL25934362 0.73 VNN1 (0.64) VNN1MEN1KMT2ACLK4CLK1
SCHEMBL5605226 0.73 RAB9A (0.58) VNN1EGFRPOLBNR2F2MEN1
SCHEMBL2360492 0.73 APP (0.60) VNN1POLBAPPMEN1KMT2A

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
JP-2001517226-A 2001-10-02 JP claimed
EP-0971925-A1 PYRIMIDOPYRIMIDINE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2000-01-19 EP claimed
WO-1998043974-A1 PYRIMIDOPYRIMIDINE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-10-08 WO claimed