SCHEMBL4440134

SCHEMBL4440134

COc1cc(COc2cc(NC(=O)c3ccccc3N3CCNCC3(C)C)[nH]n2)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ADAM17 P78536 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ IRAK4 Q9NWZ3 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
SCHEMBL4441496 0.86 FGFR1 (0.42) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL4441793 0.81 FGFR1 (0.39) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL4441526 0.74 FGFR4 (0.36) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL63963 0.73 CLK2 (0.48) FGFR1KDM4E
SCHEMBL65154 0.73 FGFR1 (0.50) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL64313 0.72 NPC1 (0.53) ALDH1A1MEN1KMT2AMAOBSMN1; SMN2
SCHEMBL28883606 0.72 FGFR1 (0.47) FGFR1FGFR2FGFR4FGFR3KMT2A
SCHEMBL64245 0.71 FGFR2 (0.39) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL64802 0.70 NFKB1 (0.40) FGFR4ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL65041 0.70 NPC1 (0.55) FGFR1MEN1KMT2ASMN1; SMN2MAPK1

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
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