SCHEMBL5490933

SCHEMBL5490933

Cc1ncc(Nc2cc(F)cc(N3CCCC3)c2)cc1C(=O)Nc1ccc(N(C)C2CCOCC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.41
MAPK7 Q13164 1/20 0.39
SETD2 Q9BYW2 1/20 0.39
MAPK14 Q16539 4/20 0.39
LCK P06239 2/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
DGAT1 O75907 1/20 0.37
PLAU P00749 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
PDE7A Q13946 3/20 0.36

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
SCHEMBL4551650 0.99 PDE4B (0.40) PDE4BMAPK7SETD2MAPK14LCK
SCHEMBL4551789 0.90 PDE4B (0.37) PDE4BMAPK7SETD2MAPK14LCK
SCHEMBL4551561 0.90 RAB9A (0.38) PDE4BMAPK7SETD2MAPK14LCK
SCHEMBL4551611 0.87 CSF1R (0.43) PDE4BMAPK14LCKKDRTEK
SCHEMBL5487365 0.87 MAPK14 (0.46) PDE4BMAPK14RAF1BRAF
SCHEMBL4551481 0.86 SETD2 (0.34) PDE4BMAPK7SETD2MAPK14KDR
SCHEMBL4551536 0.85 SMN1; SMN2 (0.33) PDE4BMAPK7SETD2MAPK14KDR
SCHEMBL4551772 0.85 PDE4B (0.43) PDE4BMAPK14LCKKDRTEK
SCHEMBL4551615 0.81 PDE4B (0.45) PDE4BMAPK14MAPTRAB9ADGAT1
SCHEMBL5490159 0.81 PDE4B (0.40) PDE4BMAPK14LCKKDRTEK

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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed