SCHEMBL5092010

SCHEMBL5092010

O=C1c2ccccc2C(=O)N1CCCCn1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
FRK P42685 1/20 0.55
MAPK9 P45984 1/20 0.55
CSNK1A1 P48729 1/20 0.55
CSNK1D P48730 1/20 0.55
GSK3B P49841 1/20 0.55
PRKD2 Q9BZL6 1/20 0.55
MAP4K5 Q9Y4K4 1/20 0.55
PTGS2 P35354 2/20 0.52
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CREBBP Q92793 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL8475516 0.92 CREBBP (0.56) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL10801666 0.79 PRKD3 (0.62) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL5093475 0.79 MAP4K4 (0.62) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL8656772 0.79 MAP4K4 (0.62) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL14288457 0.77 PRKD3 (0.60) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL14002179 0.77 PRKD3 (0.60) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL10441819 0.77 PRKD3 (0.60) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL14288452 0.77 MAP4K4 (0.86) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL10441604 0.77 MAP4K4 (0.63) PRKD3MAP4K4FRKMAPK9CSNK1A1
SCHEMBL6844336 0.77 MAPK14 (0.64) PRKD3MAP4K4FRKMAPK9CSNK1A1

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
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP disclosed