SCHEMBL5544870

SCHEMBL5544870

O=C(Nc1ncc2c(n1)CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C2)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.50
JAK2 O60674 12/20 0.48
SRC P12931 10/20 0.48
PDGFRB P09619 4/20 0.47

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
SCHEMBL3529578 0.92 JAK2 (0.47) KDRJAK2SRCPDGFRB
SCHEMBL3536379 0.80 KDR (0.64) KDRJAK2SRCPDGFRB
SCHEMBL3532526 0.77 ENPP2 (0.48) KDRJAK2SRCPDGFRB
SCHEMBL3528695 0.75 KDM4E (0.54) KDRJAK2SRCPDGFRB
SCHEMBL3528709 0.75 JAK2 (0.57) KDRJAK2SRCPDGFRB
SCHEMBL3527586 0.75 KDR (0.51) KDRPDGFRB
SCHEMBL3529695 0.74 KDR (0.53) KDRPDGFRB
SCHEMBL3530433 0.73 ENPP2 (0.53) KDRPDGFRB
SCHEMBL5546829 0.73 KDR (0.49) KDRJAK2SRCPDGFRB
SCHEMBL5545020 0.72 KDR (0.47) KDRJAK2SRCPDGFRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP disclosed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP disclosed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO disclosed