SCHEMBL6572479

SCHEMBL6572479

COCCN(CCOC)c1ccc(N)cc1-c1cccc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.40
PIK3CA P42336 1/20 0.32
MAP4K4 O95819 1/20 0.31
DYRK1A Q13627 3/20 0.31
WNT1 P04628 2/20 0.31
CHRM3 P20309 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
BTK Q06187 1/20 0.31
DYRK3 O43781 1/20 0.30
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
PRKCD Q05655 1/20 0.30
PKN2 Q16513 1/20 0.30
BRSK1 Q8TDC3 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL6574564 0.90 CRHR1 (0.36) CRHR1
SCHEMBL6571570 0.87 CRHR1 (0.39) CRHR1MAP4K4BTK
SCHEMBL6570679 0.83 MEN1 (0.38) DYRK1AWNT1
SCHEMBL6571969 0.80 CRHR1 (0.42) CRHR1HRH4CLK4
SCHEMBL6572624 0.80 MAP4K4 (0.44) CRHR1MAP4K4CHRM3
SCHEMBL6573015 0.79 CRHR1 (0.36) CRHR1CDK5
SCHEMBL6573046 0.79 HTR7 (0.44) CRHR1
SCHEMBL6570965 0.79 PLA2G7 (0.50) CRHR1CDK2
SCHEMBL993884 0.79 CRHR1 (0.36) CRHR1MAP4K4HRH4
SCHEMBL6572255 0.79 CRHR1 (0.38) CRHR1MAP4K4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed