SCHEMBL28047882

SCHEMBL28047882

Fc1cccc(Cc2ccc3cn[nH]c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
AURKB Q96GD4 3/20 0.47
MAP4K4 O95819 2/20 0.47
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
CDK8 P49336 2/20 0.47
PRKX P51817 2/20 0.47
PRKD3 O94806 1/20 0.47
NTRK1 P04629 1/20 0.47
PRKACA P17612 1/20 0.47
LTK P29376 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CLK2 P49760 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PIM1 P11309 2/20 0.46
ROCK2 O75116 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
SCHEMBL7072379 0.84 FGFR1 (0.57) MKNK1MKNK2AURKBPRKACACLK2
SCHEMBL28253335 0.79 FGFR1 (0.57) CLK2CLK4PIM1FGFR1METAP2
SCHEMBL29468203 0.76 NOS1 (0.59) AURKBMAP4K4PDGFRBPDGFRACDK8
SCHEMBL1274135 0.76 NOS1 (0.59) AURKBMAP4K4PDGFRBPDGFRACDK8
SCHEMBL23901368 0.75 NTRK1 (0.52) NTRK1ROCK2GSK3BROCK1METAP2
SCHEMBL28037237 0.75 AHR (0.58)
SCHEMBL8669605 0.75 NOS1 (0.57) FGFR1METAP2INSRIGF1RNOS1
SCHEMBL3300303 0.74 TAAR1 (0.60) HCAR2
SCHEMBL879376 0.72 NOS1 (0.53) FGFR1METAP2INSRIGF1RNOS1
SCHEMBL30896276 0.72 NOS1 (0.58) FGFR1METAP2INSRIGF1RNOS1

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
CN-105189481-A Pyridine cdk9 kinase inhibitors ABBVIE INC 2015-12-23 CN disclosed