SCHEMBL9014180

SCHEMBL9014180

FC(F)(F)c1cccc(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.68
BCR P11274 12/20 0.68
PRKCA P17252 8/20 0.68
SRC P12931 7/20 0.68
PRKCD Q05655 6/20 0.68
EGFR P00533 3/20 0.68
PRKACA P17612 1/20 0.68
PRKACG P22612 1/20 0.68
PRKACB P22694 1/20 0.68
AURKA O14965 2/20 0.63
CLK1 P49759 1/20 0.63
CLK2 P49760 1/20 0.63
DYRK1A Q13627 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
DYRK1B Q9Y463 1/20 0.63
KIF11 P52732 1/20 0.61
PDGFRB P09619 4/20 0.60
PDGFRA P16234 4/20 0.60
PRKD3 O94806 1/20 0.59
PRKCG P05129 1/20 0.59

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
SCHEMBL4901590 0.88 ABL1 (0.67) ABL1BCRPRKCASRCAURKA
SCHEMBL27116019 0.86 CLK1 (0.59) ABL1BCRPRKCASRCPRKCD
SCHEMBL27119203 0.85 AURKA (0.63) ABL1BCRSRCEGFRPRKACA
SCHEMBL27116136 0.85 CLK1 (0.62) ABL1BCRAURKACLK1CLK2
SCHEMBL25336406 0.84 CAMK2D (0.69) ABL1BCRSRCEGFRPRKACA
SCHEMBL27115596 0.84 SYK (0.65) SRCAURKACLK1CLK2DYRK1A
SCHEMBL30554563 0.84 CAMK2D (0.69) ABL1BCRSRCEGFRPRKACA
SCHEMBL13887208 0.84 KIF11 (0.63) ABL1BCRPRKCAPRKCDAURKA
SCHEMBL3514414 0.84 AURKA (0.64) ABL1BCRPRKCASRCPRKCD
SCHEMBL7461678 0.84 ABL1 (0.73) ABL1BCRPRKCASRCPRKCD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516775-A TO INHIBIT PROTEIN KINASE C CIBA-GEIGY CORPORATION (US) 1996-05-14 US claimed
US-5516775-A TO INHIBIT PROTEIN KINASE C CIBA-GEIGY CORPORATION (US) 1996-05-14 US disclosed
US-4876252-A ADMINISTERING ANTIASTHMATIC OR ANTIALLERGEN AMERICAN CYANAMID COMPANY (US) 1989-10-24 US disclosed
US-4788195-A TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1988-11-29 US disclosed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 EP disclosed