SCHEMBL5131906

SCHEMBL5131906

O=C(Cn1cc(Nc2ncnc3cc(OCCCN4CCCC4CO)ccc23)cn1)Nc1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.71
PDGFRB P09619 1/20 0.71
KIT P10721 1/20 0.71
PDGFRA P16234 1/20 0.71
AURKA O14965 18/20 0.63
CYP3A4 P08684 1/20 0.60
AURKB Q96GD4 9/20 0.51

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
SCHEMBL3428922 1.00 CSF1R (0.71) CSF1RPDGFRBKITPDGFRAAURKA
SCHEMBL3428320 0.95 PDGFRB (0.79) CSF1RPDGFRBKITPDGFRAAURKA
SCHEMBL2049234 0.95 PDGFRB (0.79) CSF1RPDGFRBKITPDGFRAAURKA
SCHEMBL6026826 0.95 PDGFRB (0.79) CSF1RPDGFRBKITPDGFRAAURKA
SCHEMBL3431888 0.93 PDGFRB (0.68) CSF1RPDGFRBKITPDGFRAAURKA
SCHEMBL3429239 0.91 PDGFRB (0.74) CSF1RPDGFRBKITPDGFRAAURKA
SCHEMBL3428750 0.91 PDGFRB (0.74) CSF1RPDGFRBKITPDGFRAAURKA
SCHEMBL3427437 0.91 AURKA (0.67) CSF1RPDGFRBKITPDGFRAAURKA
SCHEMBL3432058 0.89 AURKA (0.79) CSF1RPDGFRBKITPDGFRAAURKA
SCHEMBL2050346 0.88 PDGFRB (0.69) CSF1RPDGFRBKITPDGFRAAURKA

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-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed