SCHEMBL4552689

SCHEMBL4552689

COc1cc(CCc2cc(Nc3ccc(I)cc3)n(C(=O)OC(C)(C)C)n2)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 3/20 0.39
FPR2 P25090 3/20 0.39
FGFR3 P22607 7/20 0.37
MAPT P10636 2/20 0.35
FGFR1 P11362 3/20 0.35
FGFR2 P21802 2/20 0.35
KDR P35968 1/20 0.34
CNR1 P21554 1/20 0.34
FPR3 P25089 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ACHE P22303 2/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL63832 0.88 FGFR1 (0.38) FPR1FPR2FGFR3MAPTFGFR1
SCHEMBL63798 0.77 CYP19A1 (0.40) FGFR3FGFR1FGFR2KDRP2RX3
SCHEMBL63665 0.69 NR3C2 (0.43) MAPTALDH1A1P2RX3
SCHEMBL18054715 0.69 CYP19A1 (0.40) FGFR1FGFR2P2RX3
SCHEMBL4429135 0.64 CYP19A1 (0.44) FGFR3FGFR1FGFR2KDRALDH1A1
SCHEMBL63429 0.63 ALKBH1 (0.37) MAPTALDH1A1P2RX3
SCHEMBL63851 0.63 TLR7 (0.39) MAPTALDH1A1
SCHEMBL64487 0.63 ADRA1A (0.43) MAPTALDH1A1
SCHEMBL1167967 0.62 MAPT (0.50) MAPTFGFR2KDRALDH1A1
SCHEMBL63568 0.61 FGFR1 (0.48) FGFR3MAPTFGFR1FGFR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed