SCHEMBL3936664

SCHEMBL3936664

Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 6/20 1.00
CYP2C9 P11712 3/20 1.00
BRAF P15056 3/20 1.00
MAPK14 Q16539 3/20 1.00
JAK2 O60674 1/20 1.00
PDGFRB P09619 1/20 1.00
FGFR1 P11362 1/20 1.00
EPHB4 P54760 1/20 1.00
PTK2 Q05397 1/20 1.00
BTK Q06187 7/20 0.71
LCK P06239 6/20 0.63
KDR P35968 1/20 0.63
KCNQ3 O43525 2/20 0.62
KCNQ2 O43526 2/20 0.62
KCNE1 P15382 2/20 0.62
KCNQ1 P51787 2/20 0.62
KCNQ5 Q9NR82 1/20 0.61
BLK P51451 1/20 0.56
PTGS1 P23219 2/20 0.56
ABL1 P00519 1/20 0.55

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
SCHEMBL3932501 0.91 BRAF (1.00) CSF1RCYP2C9BRAFMAPK14JAK2
SCHEMBL2494570 0.90 CSF1R (0.81) CSF1RCYP2C9BRAFMAPK14JAK2
SCHEMBL3933086 0.89 CSF1R (0.80) CSF1RCYP2C9BRAFMAPK14JAK2
SCHEMBL27699767 0.86 CSF1R (0.76) CSF1RCYP2C9BRAFMAPK14JAK2
SCHEMBL3935020 0.86 CSF1R (0.75) CSF1RCYP2C9BRAFMAPK14JAK2
SCHEMBL14286496 0.86 CSF1R (0.75) CSF1RCYP2C9BRAFMAPK14JAK2
SCHEMBL27720386 0.85 CSF1R (0.74) CSF1RCYP2C9BRAFMAPK14JAK2
SCHEMBL3932964 0.85 CSF1R (0.74) CSF1RCYP2C9BRAFMAPK14JAK2
SCHEMBL27720440 0.84 CSF1R (0.78) CSF1RCYP2C9BRAFMAPK14JAK2
SCHEMBL2950273 0.83 CSF1R (0.81) CSF1RCYP2C9BRAFMAPK14JAK2

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-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP claimed
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN claimed
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN disclosed