SCHEMBL4551789

SCHEMBL4551789

Cc1ncc(Nc2cc(F)cc(N3CCCC3)c2)cc1C(=O)Nc1ccc(N(C)C2CCCO2)nc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.37
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SETD2 Q9BYW2 1/20 0.36
FASN P49327 3/20 0.35
LCK P06239 2/20 0.35
MAPK14 Q16539 2/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
MAPK7 Q13164 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DGAT1 O75907 1/20 0.34
PLAU P00749 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
SCHEMBL4551561 0.99 RAB9A (0.38) PDE4BMAPTRAB9ANPC1SETD2
SCHEMBL5490933 0.90 PDE4B (0.41) PDE4BMAPTRAB9ANPC1SETD2
SCHEMBL4551650 0.90 PDE4B (0.40) PDE4BMAPTRAB9ANPC1SETD2
SCHEMBL4565880 0.87 MAPK14 (0.44) PDE4BMAPK14DGAT1
SCHEMBL5490159 0.86 PDE4B (0.40) PDE4BMAPTLCKMAPK14KDR
SCHEMBL4551942 0.86 FAAH (0.31) SETD2
SCHEMBL4551772 0.81 PDE4B (0.43) PDE4BMAPTRAB9ANPC1LCK
SCHEMBL4552126 0.80 KCNQ3 (0.46) MAPTRAB9ANPC1SETD2FASN
SCHEMBL4552137 0.80 KCNQ3 (0.46) MAPTRAB9ANPC1SETD2FASN
SCHEMBL5484353 0.79 RAF1 (0.48) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed