SCHEMBL4441793

SCHEMBL4441793

COc1cc(COc2cc(NC(=O)c3ccccc3N3[C@H](C)CNC[C@@H]3C)[nH]n2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ BRPF1 P55201 2/20 0.34
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL4435657 0.86 FGFR1 (0.44) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL4440134 0.81 FGFR1 (0.36) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL4441526 0.79 FGFR4 (0.36) FGFR1FGFR2FGFR4FGFR3ALDH1A1
SCHEMBL4441714 0.78 KDM4E (0.36) FGFR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL64313 0.75 NPC1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL65181 0.75 FGFR1 (0.49) FGFR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL62670 0.74 FGFR1 (0.52) FGFR1FGFR2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4433606 0.74 MAPT (0.33) FGFR1
SCHEMBL64317 0.73 FGFR1 (0.64) FGFR1FGFR2FGFR3ALDH1A1KMT2A
SCHEMBL63198 0.73 HDAC3 (0.43) FGFR1FGFR2HPGDLMNA

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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