SCHEMBL27728431

SCHEMBL27728431

CCCCc1cnn(-c2ccc(CN3CCOCC3)cc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.45
▸ TLR7 Q9NYK1 7/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.43
▸ TLR8 Q9NR97 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FGFR1 P11362 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ FGFR2 P21802 2/20 0.40
▸ FGFR4 P22455 2/20 0.40
▸ FGFR3 P22607 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ BTK Q06187 1/20 0.40

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
SCHEMBL27728530 0.87 NCF1 (0.45) MAPK14TLR7SMN1; SMN2MEN1NPC1
SCHEMBL27721618 0.76 RAB9A (0.50) SMN1; SMN2MEN1NPC1TP53HPGD
SCHEMBL25137036 0.76 HRH3 (0.62) HRH3SMN1; SMN2MEN1NPC1TP53
SCHEMBL5907253 0.75 CYP2A13 (0.44) MAPK14SMN1; SMN2NPC1TP53RAB9A
SCHEMBL27678182 0.75 KDM4E (0.52) MAPK14SMN1; SMN2MEN1NPC1HPGD
SCHEMBL27676109 0.75 RAB9A (0.49) MAPK14SMN1; SMN2MEN1NPC1TP53
SCHEMBL27705945 0.74 SMN1; SMN2 (0.51) TLR7HRH3SMN1; SMN2MEN1NPC1
SCHEMBL27728429 0.71 TLR7 (0.48) TLR7HRH3TLR8SMN1; SMN2MEN1
SCHEMBL27984253 0.70 ELANE (0.38) TLR8SMN1; SMN2MEN1NPC1HPGD
SCHEMBL28053397 0.70 ALDH1A1 (0.42) SMN1; SMN2MEN1NPC1TP53HPGD

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
CN-101198607-A Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2008-06-11 — — CN disclosed
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