SCHEMBL7220263

SCHEMBL7220263

Cc1cn(C[CH]C(c2ccncc2)c2ccc(F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 5/20 0.37
CYP19A1 P11511 4/20 0.35
MAPK14 Q16539 2/20 0.33
CYP17A1 P05093 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PSEN1 P49768 4/20 0.31
PSEN2 P49810 4/20 0.31
APH1B Q8WW43 4/20 0.31
NCSTN Q92542 4/20 0.31
APH1A Q96BI3 4/20 0.31
PSENEN Q9NZ42 4/20 0.31

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
SCHEMBL7220570 0.75 KCNH2 (0.37) CYP19A1CYP17A1
SCHEMBL7216865 0.71 ACHE (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7216749 0.70 LOXL2 (0.38) CYP19A1MAPK14
SCHEMBL7216927 0.68 KDM4E (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7214446 0.68 NPC1 (0.38)
SCHEMBL7220974 0.67 DPP4 (0.38) CYP19A1MAPK14CYP17A1MAPK13MAPK12
SCHEMBL7221098 0.67 TAAR1 (0.39) MAPK14CYP17A1MAPK13MAPK12MAPK11
SCHEMBL7220444 0.67 PRCP (0.41)
SCHEMBL25583830 0.67 CYP11B1 (0.50) QPCTCYP19A1PSEN1PSEN2APH1B
SCHEMBL7221460 0.66 KMT2A (0.40) PTGDR2

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
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed