SCHEMBL4728308

SCHEMBL4728308

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC2CCCO2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.48
NAMPT P43490 3/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HPGD P15428 5/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ROCK2 O75116 1/20 0.42
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4725920 0.91 EGLN1 (0.48) EGLN1NAMPTTAAR1HPGDKMT2A
SCHEMBL4728367 0.81 MAPK14 (0.50) TAAR1HPGDKMT2AALDH1A1SMN1; SMN2
SCHEMBL4782957 0.80 BRAF (0.42) EGLN1NAMPTHPGDKMT2AALDH1A1
SCHEMBL5593020 0.80 RAB9A (0.49) NAMPTTAAR1HPGDKMT2AALDH1A1
SCHEMBL4727468 0.79 MAPK14 (0.47) EGLN1NAMPT
SCHEMBL4410203 0.79 HCAR3 (0.44) NAMPTKMT2AALDH1A1SMN1; SMN2ROCK2
SCHEMBL4725917 0.77 RAF1 (0.44)
SCHEMBL4728099 0.76 RAF1 (0.41) EGLN1
SCHEMBL4729070 0.75 IKBKB (0.43) EGLN1KMT2AALDH1A1SMN1; SMN2ROCK2
SCHEMBL4726798 0.74 RAF1 (0.42)

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed