SCHEMBL14620682

SCHEMBL14620682

O=C(c1ccccc1F)c1c[nH]c2nc(Nc3cccc(S(=O)O)c3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 7/20 0.39
APP P05067 2/20 0.38
PAK1 Q13153 1/20 0.37
CYP2C9 P11712 2/20 0.37
MAPK14 Q16539 2/20 0.35
PTK2 Q05397 1/20 0.33
GRM4 Q14833 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL858651 0.85 RAB9A (0.43) FGFR4APPPAK1MAPK14NPC1
SCHEMBL858634 0.85 ABL1 (0.42) FGFR4APPPAK1GRM4NPC1
SCHEMBL859336 0.82 JAK2 (0.43) FGFR4APPPAK1MAPK14ALDH1A1
SCHEMBL858693 0.77 FGFR4 (0.49) FGFR4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL859155 0.75 MEN1 (0.45) MAPTSMN1; SMN2
SCHEMBL859378 0.75 FGFR4 (0.47) FGFR4PAK1CYP2C9MAPK14SMN1; SMN2
SCHEMBL858194 0.73 FGFR4 (0.48) FGFR4NPC1ALDH1A1MAPTRAB9A
SCHEMBL8002952 0.67 AXL (0.51) PAK1CYP2C9NPC1RAB9A
SCHEMBL7995790 0.67 PAK1 (0.47) PAK1CYP2C9GRM4
SCHEMBL857351 0.66 MAP2K1 (0.57) PAK1CYP2C9

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-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed